REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1mne_1_A DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQGD SDLFKLTVSD KRYIWYNPDP DERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVDGQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE RNQXXXXGVL EQQILQANPI LEAFGNAKTT RNNNSSRFGK FIEIQFNNAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDE DEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CSERAAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMFKVEQ EEYLKEKINX DATA SEQUENCE XXXXXXLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA XXXXXFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIYADF DATA SEQUENCE VKRYYLLAPN VPRDAEDSQK ATDAVLKHLN IDPEQYRFGI TKIFFRAGQL DATA SEQUENCE ARIEEARE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.476 175.510 -0.057 0.000 1.280 2 N CA 0.000 53.065 53.050 0.025 0.000 0.885 2 N CB 0.000 38.559 38.487 0.119 0.000 1.341 3 P HA 0.004 nan 4.420 nan 0.000 0.221 3 P C 1.391 178.587 177.300 -0.174 0.000 1.145 3 P CA 0.716 63.769 63.100 -0.080 0.000 0.795 3 P CB 0.449 32.100 31.700 -0.081 0.000 0.775 4 I N -0.618 119.674 120.570 -0.463 0.000 2.315 4 I HA -0.192 3.979 4.170 0.003 0.000 0.248 4 I C 2.148 178.112 176.117 -0.255 0.000 1.117 4 I CA 1.341 62.259 61.300 -0.638 0.000 1.404 4 I CB -0.620 36.880 38.000 -0.834 0.000 1.071 4 I HN 0.126 nan 8.210 nan 0.000 0.419 5 H N -1.719 117.401 119.070 0.083 0.000 2.652 5 H HA 0.197 4.754 4.556 0.002 0.000 0.274 5 H C 0.168 175.494 175.328 -0.003 0.000 1.021 5 H CA -0.118 55.982 56.048 0.087 0.000 1.187 5 H CB -0.271 29.506 29.762 0.024 0.000 1.505 5 H HN 0.183 nan 8.280 nan 0.000 0.530 6 D N 1.704 122.143 120.400 0.065 0.000 2.422 6 D HA 0.041 4.683 4.640 0.003 0.000 0.227 6 D C 0.893 177.067 176.300 -0.211 0.000 1.190 6 D CA -0.353 53.631 54.000 -0.026 0.000 0.905 6 D CB 0.334 41.147 40.800 0.022 0.000 1.034 6 D HN -0.006 nan 8.370 nan 0.000 0.507 7 R N 1.582 121.812 120.500 -0.450 0.000 2.395 7 R HA -0.027 4.315 4.340 0.003 0.000 0.202 7 R C 1.324 177.466 176.300 -0.264 0.000 1.088 7 R CA 1.185 56.853 56.100 -0.720 0.000 1.090 7 R CB -0.027 30.018 30.300 -0.425 0.000 0.876 7 R HN 0.486 nan 8.270 nan 0.000 0.477 8 T N -3.724 110.763 114.554 -0.112 0.000 3.043 8 T HA 0.080 4.432 4.350 0.003 0.000 0.272 8 T C 0.564 175.283 174.700 0.033 0.000 0.990 8 T CA -0.224 61.858 62.100 -0.030 0.000 0.897 8 T CB 0.306 69.156 68.868 -0.029 0.000 1.111 8 T HN 0.083 nan 8.240 nan 0.000 0.529 9 S N 1.069 116.828 115.700 0.098 0.000 2.592 9 S HA 0.271 4.743 4.470 0.003 0.000 0.271 9 S C 0.498 175.203 174.600 0.174 0.000 1.326 9 S CA -0.384 57.908 58.200 0.153 0.000 1.024 9 S CB 0.998 64.325 63.200 0.212 0.000 0.921 9 S HN 0.107 nan 8.310 nan 0.000 0.527 10 D N 0.207 120.713 120.400 0.176 0.000 2.271 10 D HA -0.118 4.523 4.640 0.003 0.000 0.207 10 D C 1.231 177.705 176.300 0.290 0.000 0.983 10 D CA 1.400 55.544 54.000 0.241 0.000 0.878 10 D CB -0.335 40.662 40.800 0.328 0.000 0.920 10 D HN 0.781 nan 8.370 nan 0.000 0.479 11 Y N 0.210 120.586 120.300 0.126 0.000 2.163 11 Y HA -0.200 4.352 4.550 0.003 0.000 0.288 11 Y C 2.350 178.217 175.900 -0.054 0.000 1.136 11 Y CA 1.644 59.772 58.100 0.045 0.000 1.147 11 Y CB -0.172 38.263 38.460 -0.041 0.000 0.987 11 Y HN 0.126 nan 8.280 nan 0.000 0.509 12 H N 0.213 119.311 119.070 0.048 0.000 2.389 12 H HA -0.131 4.426 4.556 0.002 0.000 0.299 12 H C 2.190 177.421 175.328 -0.160 0.000 1.081 12 H CA 1.793 57.789 56.048 -0.087 0.000 1.345 12 H CB 0.045 29.811 29.762 0.007 0.000 1.393 12 H HN 0.343 nan 8.280 nan 0.000 0.520 13 K N 0.145 120.509 120.400 -0.059 0.000 2.032 13 K HA -0.176 4.145 4.320 0.003 0.000 0.209 13 K C 1.284 177.636 176.600 -0.413 0.000 1.048 13 K CA 1.637 57.744 56.287 -0.300 0.000 0.927 13 K CB 0.054 32.248 32.500 -0.510 0.000 0.712 13 K HN 0.213 nan 8.250 nan 0.000 0.441 14 Y N -1.017 119.226 120.300 -0.094 0.000 2.449 14 Y HA 0.202 4.754 4.550 0.003 0.000 0.254 14 Y C 1.210 177.012 175.900 -0.164 0.000 1.140 14 Y CA 0.115 58.147 58.100 -0.114 0.000 1.272 14 Y CB 0.664 39.074 38.460 -0.084 0.000 1.114 14 Y HN -0.032 nan 8.280 nan 0.000 0.525 15 L N -1.125 120.016 121.223 -0.137 0.000 2.993 15 L HA 0.242 4.584 4.340 0.003 0.000 0.264 15 L C 0.122 176.824 176.870 -0.280 0.000 1.154 15 L CA 0.229 54.943 54.840 -0.210 0.000 0.972 15 L CB 0.636 42.453 42.059 -0.403 0.000 1.373 15 L HN -0.216 nan 8.230 nan 0.000 0.564 16 K N 0.467 120.682 120.400 -0.308 0.000 2.328 16 K HA 0.473 4.794 4.320 0.003 0.000 0.246 16 K C -0.921 175.602 176.600 -0.129 0.000 0.955 16 K CA -0.741 55.393 56.287 -0.254 0.000 0.817 16 K CB 3.434 35.705 32.500 -0.381 0.000 1.208 16 K HN -0.336 nan 8.250 nan 0.000 0.432 17 V N 3.104 122.968 119.914 -0.082 0.000 2.405 17 V HA 0.045 4.166 4.120 0.003 0.000 0.264 17 V C 0.549 176.635 176.094 -0.013 0.000 1.048 17 V CA -0.292 61.980 62.300 -0.047 0.000 0.966 17 V CB 0.551 32.353 31.823 -0.036 0.000 1.015 17 V HN 0.581 nan 8.190 nan 0.000 0.477 18 K N 5.586 125.978 120.400 -0.013 0.000 2.491 18 K HA 0.014 4.335 4.320 0.003 0.000 0.279 18 K C 0.080 176.689 176.600 0.016 0.000 1.026 18 K CA 0.191 56.486 56.287 0.013 0.000 1.070 18 K CB 0.298 32.789 32.500 -0.014 0.000 0.887 18 K HN 0.704 nan 8.250 nan 0.000 0.481 19 Q N 2.560 122.382 119.800 0.037 0.000 2.243 19 Q HA 0.289 4.631 4.340 0.003 0.000 0.252 19 Q C 0.483 176.482 176.000 -0.002 0.000 0.909 19 Q CA -0.824 54.992 55.803 0.021 0.000 0.922 19 Q CB 1.625 30.388 28.738 0.041 0.000 1.215 19 Q HN 0.739 nan 8.270 nan 0.000 0.427 20 G N 1.029 109.825 108.800 -0.007 0.000 2.510 20 G HA2 0.020 3.981 3.960 0.003 0.000 0.280 20 G HA3 0.020 3.981 3.960 0.003 0.000 0.280 20 G C -0.000 174.892 174.900 -0.013 0.000 1.386 20 G CA -0.385 44.707 45.100 -0.013 0.000 1.047 20 G HN 0.636 nan 8.290 nan 0.000 0.527 21 D N -1.222 119.171 120.400 -0.013 0.000 2.323 21 D HA 0.083 4.724 4.640 0.003 0.000 0.209 21 D C 0.689 176.984 176.300 -0.008 0.000 0.973 21 D CA 0.804 54.797 54.000 -0.012 0.000 0.874 21 D CB 0.620 41.412 40.800 -0.013 0.000 0.930 21 D HN 0.133 nan 8.370 nan 0.000 0.521 22 S N 0.279 115.975 115.700 -0.007 0.000 2.542 22 S HA 0.247 4.718 4.470 0.003 0.000 0.293 22 S C -0.556 174.041 174.600 -0.005 0.000 1.089 22 S CA -0.780 57.418 58.200 -0.004 0.000 0.961 22 S CB 1.545 64.744 63.200 -0.002 0.000 1.062 22 S HN -0.005 nan 8.310 nan 0.000 0.483 23 D N 2.602 123.002 120.400 -0.001 0.000 2.503 23 D HA 0.125 4.767 4.640 0.003 0.000 0.218 23 D C -0.023 176.280 176.300 0.005 0.000 1.183 23 D CA -0.314 53.684 54.000 -0.004 0.000 0.827 23 D CB -0.078 40.720 40.800 -0.003 0.000 1.034 23 D HN 0.254 nan 8.370 nan 0.000 0.510 24 L N 1.723 122.956 121.223 0.017 0.000 2.513 24 L HA 0.080 4.421 4.340 0.003 0.000 0.272 24 L C 1.421 178.328 176.870 0.062 0.000 1.187 24 L CA -0.081 54.785 54.840 0.043 0.000 0.895 24 L CB -0.398 41.683 42.059 0.038 0.000 1.147 24 L HN -0.032 nan 8.230 nan 0.000 0.483 25 F N 4.085 123.978 119.950 -0.094 0.000 2.147 25 F HA -0.366 4.162 4.527 0.001 0.000 0.301 25 F C 2.141 177.901 175.800 -0.066 0.000 1.084 25 F CA 2.217 60.151 58.000 -0.111 0.000 1.268 25 F CB 0.101 39.003 39.000 -0.164 0.000 1.009 25 F HN 0.725 nan 8.300 nan 0.000 0.486 26 K N -0.083 120.369 120.400 0.086 0.000 2.063 26 K HA -0.226 4.096 4.320 0.003 0.000 0.208 26 K C 1.794 178.357 176.600 -0.062 0.000 1.048 26 K CA 1.825 58.115 56.287 0.005 0.000 0.928 26 K CB -0.979 31.549 32.500 0.047 0.000 0.713 26 K HN 0.209 nan 8.250 nan 0.000 0.442 27 L N 2.214 123.408 121.223 -0.048 0.000 2.030 27 L HA -0.232 4.109 4.340 0.003 0.000 0.222 27 L C 2.587 179.411 176.870 -0.077 0.000 1.082 27 L CA 2.643 57.452 54.840 -0.051 0.000 0.785 27 L CB -1.803 40.230 42.059 -0.045 0.000 0.895 27 L HN 0.692 nan 8.230 nan 0.000 0.439 28 T N -4.021 110.454 114.554 -0.132 0.000 3.194 28 T HA 0.119 4.471 4.350 0.003 0.000 0.251 28 T C 0.646 175.224 174.700 -0.203 0.000 1.132 28 T CA -0.281 61.719 62.100 -0.165 0.000 1.028 28 T CB -0.731 68.004 68.868 -0.221 0.000 0.976 28 T HN -0.036 nan 8.240 nan 0.000 0.535 29 V N 1.785 121.589 119.914 -0.184 0.000 2.637 29 V HA 0.489 4.610 4.120 0.003 0.000 0.296 29 V C 0.483 176.536 176.094 -0.069 0.000 1.046 29 V CA -0.275 61.933 62.300 -0.154 0.000 1.066 29 V CB 1.151 32.912 31.823 -0.103 0.000 0.968 29 V HN 0.498 nan 8.190 nan 0.000 0.483 30 S N 1.532 117.205 115.700 -0.044 0.000 2.627 30 S HA 0.437 4.908 4.470 0.003 0.000 0.283 30 S C 0.218 174.819 174.600 0.003 0.000 1.127 30 S CA -0.657 57.542 58.200 -0.002 0.000 0.863 30 S CB 1.978 65.200 63.200 0.037 0.000 1.121 30 S HN 0.810 nan 8.310 nan 0.000 0.479 31 D N 0.882 121.284 120.400 0.003 0.000 2.262 31 D HA 0.157 4.799 4.640 0.003 0.000 0.212 31 D C -0.114 176.161 176.300 -0.041 0.000 0.964 31 D CA 0.700 54.695 54.000 -0.009 0.000 0.875 31 D CB 0.102 40.898 40.800 -0.006 0.000 0.996 31 D HN 0.223 nan 8.370 nan 0.000 0.497 32 K N 1.154 121.513 120.400 -0.067 0.000 2.469 32 K HA 0.157 4.479 4.320 0.003 0.000 0.274 32 K C 0.332 176.782 176.600 -0.250 0.000 0.983 32 K CA 0.513 56.666 56.287 -0.224 0.000 0.974 32 K CB 0.644 33.036 32.500 -0.181 0.000 0.913 32 K HN -0.066 nan 8.250 nan 0.000 0.493 33 R N 1.879 122.108 120.500 -0.451 0.000 2.628 33 R HA 0.404 4.745 4.340 0.003 0.000 0.288 33 R C -0.994 174.964 176.300 -0.570 0.000 0.980 33 R CA -0.777 55.130 56.100 -0.321 0.000 0.891 33 R CB 1.325 31.535 30.300 -0.151 0.000 1.188 33 R HN 0.511 nan 8.270 nan 0.000 0.450 34 Y N 1.304 121.462 120.300 -0.237 0.000 2.633 34 Y HA 0.559 5.113 4.550 0.007 0.000 0.339 34 Y C 0.008 175.615 175.900 -0.488 0.000 1.045 34 Y CA -0.971 56.920 58.100 -0.347 0.000 1.098 34 Y CB 1.849 40.050 38.460 -0.432 0.000 1.296 34 Y HN 0.228 nan 8.280 nan 0.000 0.494 35 I N 0.671 121.034 120.570 -0.345 0.000 2.647 35 I HA 0.218 4.389 4.170 0.003 0.000 0.295 35 I C -1.628 174.198 176.117 -0.485 0.000 1.078 35 I CA -1.186 59.819 61.300 -0.491 0.000 1.048 35 I CB 1.833 39.470 38.000 -0.605 0.000 1.239 35 I HN 0.718 nan 8.210 nan 0.000 0.421 36 W N 7.412 128.564 121.300 -0.247 0.000 2.322 36 W HA 0.373 5.037 4.660 0.006 0.000 0.307 36 W C -0.397 176.092 176.519 -0.048 0.000 1.220 36 W CA -0.289 56.933 57.345 -0.206 0.000 1.210 36 W CB 0.638 29.902 29.460 -0.325 0.000 1.223 36 W HN 0.349 nan 8.180 nan 0.000 0.511 37 Y N 0.042 120.470 120.300 0.213 0.000 2.605 37 Y HA 0.535 5.087 4.550 0.003 0.000 0.343 37 Y C -0.951 175.103 175.900 0.256 0.000 1.036 37 Y CA -2.243 55.954 58.100 0.161 0.000 1.065 37 Y CB 1.005 39.416 38.460 -0.082 0.000 1.288 37 Y HN 0.366 nan 8.280 nan 0.000 0.481 38 N N 3.751 122.678 118.700 0.380 0.000 2.558 38 N HA 0.266 5.008 4.740 0.003 0.000 0.233 38 N C -2.073 173.628 175.510 0.319 0.000 1.038 38 N CA -1.706 51.408 53.050 0.107 0.000 0.934 38 N CB 1.043 39.518 38.487 -0.020 0.000 1.175 38 N HN 0.516 nan 8.380 nan 0.000 0.512 39 P HA -0.154 nan 4.420 nan 0.000 0.218 39 P C -0.282 177.114 177.300 0.161 0.000 1.146 39 P CA 1.564 64.863 63.100 0.331 0.000 0.813 39 P CB 0.273 32.073 31.700 0.167 0.000 0.778 40 D N -1.952 118.489 120.400 0.068 0.000 2.616 40 D HA 0.203 4.845 4.640 0.003 0.000 0.238 40 D C -2.275 174.015 176.300 -0.017 0.000 1.354 40 D CA -2.318 51.697 54.000 0.024 0.000 0.970 40 D CB 1.228 42.032 40.800 0.007 0.000 1.369 40 D HN -0.242 nan 8.370 nan 0.000 0.585 41 P HA -0.045 nan 4.420 nan 0.000 0.222 41 P C 0.802 178.081 177.300 -0.034 0.000 1.147 41 P CA 0.639 63.733 63.100 -0.010 0.000 0.790 41 P CB 0.426 32.135 31.700 0.015 0.000 0.780 42 D N -0.221 120.159 120.400 -0.033 0.000 2.085 42 D HA -0.082 4.560 4.640 0.003 0.000 0.199 42 D C 0.475 176.735 176.300 -0.067 0.000 0.981 42 D CA 0.840 54.815 54.000 -0.041 0.000 0.834 42 D CB -0.766 40.016 40.800 -0.030 0.000 0.992 42 D HN 0.442 nan 8.370 nan 0.000 0.457 43 E N 0.812 120.963 120.200 -0.083 0.000 1.985 43 E HA 0.084 4.435 4.350 0.003 0.000 0.268 43 E C 1.341 177.826 176.600 -0.192 0.000 1.219 43 E CA -0.128 56.198 56.400 -0.123 0.000 0.942 43 E CB 0.488 30.114 29.700 -0.123 0.000 1.045 43 E HN 0.270 nan 8.360 nan 0.000 0.413 44 R N 3.319 123.701 120.500 -0.196 0.000 2.240 44 R HA -0.074 4.267 4.340 0.003 0.000 0.203 44 R C 0.057 176.094 176.300 -0.437 0.000 1.011 44 R CA 0.836 56.781 56.100 -0.258 0.000 1.007 44 R CB 0.386 30.602 30.300 -0.140 0.000 0.911 44 R HN 0.334 nan 8.270 nan 0.000 0.468 45 D N 0.529 120.720 120.400 -0.348 0.000 2.348 45 D HA 0.067 4.708 4.640 0.003 0.000 0.211 45 D C -0.222 175.830 176.300 -0.414 0.000 0.998 45 D CA 0.444 54.249 54.000 -0.325 0.000 0.873 45 D CB 0.503 41.173 40.800 -0.217 0.000 0.925 45 D HN 0.011 nan 8.370 nan 0.000 0.524 46 S N 0.024 115.456 115.700 -0.447 0.000 2.475 46 S HA 0.382 4.853 4.470 0.003 0.000 0.281 46 S C -0.856 173.468 174.600 -0.459 0.000 1.198 46 S CA -0.361 57.646 58.200 -0.322 0.000 1.063 46 S CB 0.411 63.502 63.200 -0.182 0.000 0.972 46 S HN -0.001 nan 8.310 nan 0.000 0.486 47 Y N 1.310 121.538 120.300 -0.120 0.000 2.545 47 Y HA 0.515 5.066 4.550 0.002 0.000 0.348 47 Y C 0.367 176.186 175.900 -0.136 0.000 1.002 47 Y CA -0.962 57.066 58.100 -0.120 0.000 1.039 47 Y CB 1.386 39.784 38.460 -0.104 0.000 1.271 47 Y HN 0.428 nan 8.280 nan 0.000 0.467 48 E N 0.520 120.593 120.200 -0.213 0.000 2.299 48 E HA 0.314 4.666 4.350 0.003 0.000 0.265 48 E C -1.143 175.224 176.600 -0.388 0.000 0.911 48 E CA -0.733 55.424 56.400 -0.404 0.000 0.789 48 E CB 2.702 31.891 29.700 -0.853 0.000 1.246 48 E HN 0.692 nan 8.360 nan 0.000 0.427 49 C N 1.321 120.474 119.300 -0.245 0.000 2.536 49 C HA 0.777 5.239 4.460 0.003 0.000 0.396 49 C C 0.460 175.409 174.990 -0.067 0.000 1.279 49 C CA 0.075 58.828 59.018 -0.441 0.000 2.148 49 C CB -0.693 26.660 27.740 -0.645 0.000 2.584 49 C HN 0.654 nan 8.230 nan 0.000 0.579 50 G N 4.125 112.940 108.800 0.024 0.000 2.687 50 G HA2 0.473 4.434 3.960 0.003 0.000 0.301 50 G HA3 0.473 4.434 3.960 0.003 0.000 0.301 50 G C -1.372 173.613 174.900 0.141 0.000 1.416 50 G CA -0.249 45.001 45.100 0.250 0.000 1.005 50 G HN 0.911 nan 8.290 nan 0.000 0.509 51 E N 3.265 123.563 120.200 0.164 0.000 2.105 51 E HA 0.238 4.590 4.350 0.003 0.000 0.285 51 E C 0.410 176.981 176.600 -0.049 0.000 1.055 51 E CA -0.545 55.779 56.400 -0.127 0.000 0.843 51 E CB 0.469 30.064 29.700 -0.174 0.000 1.067 51 E HN 0.387 nan 8.360 nan 0.000 0.398 52 I N 4.472 124.959 120.570 -0.139 0.000 2.775 52 I HA -0.140 4.032 4.170 0.003 0.000 0.290 52 I C 0.953 177.065 176.117 -0.009 0.000 1.203 52 I CA 0.103 61.395 61.300 -0.013 0.000 1.433 52 I CB 0.813 38.744 38.000 -0.115 0.000 1.354 52 I HN 0.540 nan 8.210 nan 0.000 0.579 53 V N 4.025 123.977 119.914 0.064 0.000 3.359 53 V HA 0.093 4.214 4.120 0.003 0.000 0.245 53 V C 0.371 176.488 176.094 0.038 0.000 1.247 53 V CA 1.168 63.482 62.300 0.024 0.000 1.145 53 V CB 0.968 32.801 31.823 0.017 0.000 0.906 53 V HN 0.971 nan 8.190 nan 0.000 0.464 54 S N 0.134 115.882 115.700 0.081 0.000 2.595 54 S HA 0.561 5.032 4.470 0.003 0.000 0.270 54 S C -1.607 173.052 174.600 0.099 0.000 1.145 54 S CA -0.754 57.488 58.200 0.069 0.000 0.825 54 S CB 2.023 65.238 63.200 0.024 0.000 1.107 54 S HN 0.442 nan 8.310 nan 0.000 0.461 55 E N 0.141 120.356 120.200 0.026 0.000 2.314 55 E HA 0.654 5.006 4.350 0.003 0.000 0.272 55 E C -0.290 176.256 176.600 -0.091 0.000 0.884 55 E CA -1.011 55.340 56.400 -0.082 0.000 0.753 55 E CB 1.852 31.419 29.700 -0.223 0.000 1.213 55 E HN 0.821 nan 8.360 nan 0.000 0.432 56 T N -0.829 113.652 114.554 -0.121 0.000 2.902 56 T HA 0.226 4.578 4.350 0.003 0.000 0.287 56 T C 1.143 175.769 174.700 -0.122 0.000 1.048 56 T CA 0.014 62.058 62.100 -0.094 0.000 0.941 56 T CB 0.761 69.584 68.868 -0.075 0.000 1.432 56 T HN 0.409 nan 8.240 nan 0.000 0.586 57 S N 0.950 116.596 115.700 -0.091 0.000 2.423 57 S HA -0.044 4.428 4.470 0.003 0.000 0.231 57 S C 1.090 175.618 174.600 -0.119 0.000 1.014 57 S CA 1.078 59.224 58.200 -0.089 0.000 0.965 57 S CB -0.439 62.728 63.200 -0.055 0.000 0.785 57 S HN 0.926 nan 8.310 nan 0.000 0.495 58 D N 0.117 120.439 120.400 -0.130 0.000 2.525 58 D HA 0.161 4.803 4.640 0.003 0.000 0.231 58 D C 0.300 176.512 176.300 -0.147 0.000 1.216 58 D CA 0.129 54.057 54.000 -0.120 0.000 0.813 58 D CB 0.095 40.858 40.800 -0.063 0.000 1.108 58 D HN 0.404 nan 8.370 nan 0.000 0.524 59 S N -0.997 114.575 115.700 -0.213 0.000 2.638 59 S HA 0.749 5.221 4.470 0.003 0.000 0.274 59 S C -1.441 172.987 174.600 -0.286 0.000 1.157 59 S CA -0.763 57.343 58.200 -0.157 0.000 0.826 59 S CB 1.581 64.756 63.200 -0.041 0.000 1.139 59 S HN -0.029 nan 8.310 nan 0.000 0.474 60 F N 0.040 120.023 119.950 0.055 0.000 2.598 60 F HA 0.746 5.273 4.527 -0.000 0.000 0.327 60 F C 0.558 176.406 175.800 0.081 0.000 1.057 60 F CA -0.589 57.455 58.000 0.073 0.000 0.957 60 F CB 2.641 41.707 39.000 0.110 0.000 1.278 60 F HN 0.634 nan 8.300 nan 0.000 0.484 61 T N 2.266 116.998 114.554 0.297 0.000 2.881 61 T HA 0.632 4.984 4.350 0.003 0.000 0.290 61 T C -1.241 173.551 174.700 0.154 0.000 1.000 61 T CA -0.421 61.735 62.100 0.093 0.000 0.978 61 T CB 0.679 69.544 68.868 -0.005 0.000 0.997 61 T HN 0.428 nan 8.240 nan 0.000 0.443 62 F N 0.860 120.801 119.950 -0.015 0.000 2.764 62 F HA 0.850 5.377 4.527 0.001 0.000 0.347 62 F C -0.611 175.141 175.800 -0.080 0.000 1.151 62 F CA -1.509 56.460 58.000 -0.051 0.000 1.021 62 F CB 1.291 40.253 39.000 -0.064 0.000 1.438 62 F HN 0.210 nan 8.300 nan 0.000 0.516 63 K N 1.556 122.113 120.400 0.263 0.000 2.464 63 K HA 0.313 4.634 4.320 0.003 0.000 0.252 63 K C -0.303 176.430 176.600 0.222 0.000 1.000 63 K CA -0.556 55.805 56.287 0.123 0.000 0.951 63 K CB 1.206 33.747 32.500 0.068 0.000 1.183 63 K HN 0.892 nan 8.250 nan 0.000 0.445 64 T N -0.365 114.248 114.554 0.098 0.000 2.709 64 T HA -0.082 4.270 4.350 0.003 0.000 0.345 64 T C 1.804 176.657 174.700 0.254 0.000 1.086 64 T CA 0.346 62.511 62.100 0.108 0.000 1.084 64 T CB 0.421 69.267 68.868 -0.037 0.000 1.000 64 T HN 0.361 nan 8.240 nan 0.000 0.549 65 V N 1.189 121.342 119.914 0.400 0.000 2.332 65 V HA -0.115 4.007 4.120 0.003 0.000 0.248 65 V C 2.449 178.636 176.094 0.155 0.000 1.055 65 V CA 2.675 65.129 62.300 0.257 0.000 1.038 65 V CB -0.902 31.069 31.823 0.247 0.000 0.651 65 V HN 0.942 nan 8.190 nan 0.000 0.450 66 D N -0.334 120.150 120.400 0.141 0.000 2.347 66 D HA 0.253 4.894 4.640 0.003 0.000 0.215 66 D C 1.770 178.102 176.300 0.053 0.000 0.976 66 D CA 1.357 55.407 54.000 0.084 0.000 0.884 66 D CB 0.423 41.265 40.800 0.070 0.000 0.915 66 D HN 0.895 nan 8.370 nan 0.000 0.526 67 G N -0.666 108.165 108.800 0.053 0.000 2.258 67 G HA2 -0.287 3.675 3.960 0.003 0.000 0.233 67 G HA3 -0.287 3.675 3.960 0.003 0.000 0.233 67 G C 0.731 175.627 174.900 -0.007 0.000 1.006 67 G CA 0.474 45.589 45.100 0.026 0.000 0.620 67 G HN 0.739 nan 8.290 nan 0.000 0.511 68 Q N 0.393 120.181 119.800 -0.020 0.000 2.479 68 Q HA 0.471 4.813 4.340 0.003 0.000 0.267 68 Q C 0.333 176.263 176.000 -0.117 0.000 1.071 68 Q CA 1.746 57.511 55.803 -0.064 0.000 0.935 68 Q CB -0.427 28.270 28.738 -0.068 0.000 1.295 68 Q HN 2.066 nan 8.270 nan 0.000 0.476 69 D N -1.054 119.251 120.400 -0.158 0.000 2.268 69 D HA 0.873 5.515 4.640 0.003 0.000 0.249 69 D C 0.169 176.238 176.300 -0.384 0.000 1.008 69 D CA 0.348 54.203 54.000 -0.242 0.000 0.939 69 D CB 0.993 41.691 40.800 -0.170 0.000 1.170 69 D HN 1.205 nan 8.370 nan 0.000 0.468 70 R N -0.148 119.950 120.500 -0.670 0.000 2.752 70 R HA 0.824 5.166 4.340 0.003 0.000 0.271 70 R C -1.134 174.718 176.300 -0.747 0.000 1.026 70 R CA -0.707 54.918 56.100 -0.792 0.000 0.901 70 R CB 1.063 30.799 30.300 -0.940 0.000 1.243 70 R HN 0.687 nan 8.270 nan 0.000 0.463 71 Q N 0.361 119.917 119.800 -0.407 0.000 2.375 71 Q HA 0.700 5.041 4.340 0.003 0.000 0.271 71 Q C -1.630 174.402 176.000 0.053 0.000 1.074 71 Q CA -1.023 54.693 55.803 -0.145 0.000 0.808 71 Q CB 2.379 31.065 28.738 -0.087 0.000 1.327 71 Q HN 0.571 nan 8.270 nan 0.000 0.441 72 V N 2.311 122.340 119.914 0.192 0.000 2.925 72 V HA 0.444 4.565 4.120 0.003 0.000 0.311 72 V C -1.344 174.874 176.094 0.206 0.000 1.104 72 V CA -0.733 61.727 62.300 0.267 0.000 0.954 72 V CB 2.310 34.385 31.823 0.420 0.000 1.022 72 V HN 0.547 nan 8.190 nan 0.000 0.427 73 K N 3.573 124.067 120.400 0.156 0.000 2.298 73 K HA 0.381 4.703 4.320 0.003 0.000 0.280 73 K C 1.000 177.696 176.600 0.161 0.000 1.032 73 K CA 0.204 56.555 56.287 0.106 0.000 0.958 73 K CB 1.020 33.564 32.500 0.072 0.000 0.978 73 K HN 0.657 nan 8.250 nan 0.000 0.472 74 K N 1.343 121.799 120.400 0.092 0.000 2.152 74 K HA -0.135 4.186 4.320 0.003 0.000 0.206 74 K C 0.592 177.299 176.600 0.177 0.000 1.048 74 K CA 1.455 57.847 56.287 0.174 0.000 0.933 74 K CB 0.179 32.619 32.500 -0.101 0.000 0.721 74 K HN 0.550 nan 8.250 nan 0.000 0.447 75 D N 0.625 121.084 120.400 0.097 0.000 2.363 75 D HA -0.073 4.568 4.640 0.003 0.000 0.220 75 D C 0.610 176.958 176.300 0.079 0.000 0.994 75 D CA 0.889 54.936 54.000 0.078 0.000 0.890 75 D CB 0.231 41.062 40.800 0.052 0.000 0.906 75 D HN 0.172 nan 8.370 nan 0.000 0.530 76 D N -0.248 120.211 120.400 0.098 0.000 2.469 76 D HA 0.142 4.784 4.640 0.003 0.000 0.213 76 D C 0.337 176.695 176.300 0.097 0.000 1.135 76 D CA 0.004 54.059 54.000 0.091 0.000 0.834 76 D CB 0.940 41.799 40.800 0.097 0.000 1.009 76 D HN -0.028 nan 8.370 nan 0.000 0.507 77 A N 0.817 123.702 122.820 0.108 0.000 2.327 77 A HA 0.376 4.698 4.320 0.003 0.000 0.283 77 A C 0.209 177.765 177.584 -0.047 0.000 1.127 77 A CA -0.377 51.694 52.037 0.055 0.000 0.810 77 A CB 0.401 19.462 19.000 0.101 0.000 1.066 77 A HN -0.067 nan 8.150 nan 0.000 0.492 78 N N 2.762 121.422 118.700 -0.066 0.000 2.801 78 N HA 0.127 4.869 4.740 0.003 0.000 0.235 78 N C -0.629 174.780 175.510 -0.169 0.000 1.069 78 N CA 0.026 53.035 53.050 -0.068 0.000 0.946 78 N CB 0.975 39.479 38.487 0.028 0.000 1.212 78 N HN 0.675 nan 8.380 nan 0.000 0.509 79 Q N 0.775 120.329 119.800 -0.410 0.000 2.364 79 Q HA 0.120 4.461 4.340 0.003 0.000 0.267 79 Q C 0.376 176.175 176.000 -0.334 0.000 0.999 79 Q CA 0.190 55.609 55.803 -0.640 0.000 0.886 79 Q CB 1.739 29.702 28.738 -1.292 0.000 1.243 79 Q HN 0.256 nan 8.270 nan 0.000 0.415 80 R N 2.287 122.614 120.500 -0.288 0.000 2.390 80 R HA 0.107 4.448 4.340 0.003 0.000 0.291 80 R C -0.156 176.278 176.300 0.224 0.000 1.070 80 R CA -0.343 55.692 56.100 -0.108 0.000 1.014 80 R CB 0.600 30.578 30.300 -0.536 0.000 1.007 80 R HN 0.617 nan 8.270 nan 0.000 0.466 81 N N 3.819 122.701 118.700 0.303 0.000 2.482 81 N HA 0.130 4.872 4.740 0.003 0.000 0.260 81 N C -2.354 173.259 175.510 0.172 0.000 1.236 81 N CA -0.987 52.137 53.050 0.123 0.000 0.938 81 N CB 0.671 39.040 38.487 -0.196 0.000 1.128 81 N HN 0.385 nan 8.380 nan 0.000 0.448 82 P HA 0.087 nan 4.420 nan 0.000 0.268 82 P C 1.373 178.900 177.300 0.378 0.000 1.204 82 P CA -0.187 63.089 63.100 0.293 0.000 0.768 82 P CB 0.747 32.635 31.700 0.314 0.000 0.842 83 I N 2.364 123.054 120.570 0.200 0.000 2.358 83 I HA -0.344 3.828 4.170 0.003 0.000 0.257 83 I C 2.080 178.265 176.117 0.113 0.000 1.123 83 I CA 1.765 63.152 61.300 0.146 0.000 1.393 83 I CB -0.216 37.822 38.000 0.064 0.000 1.073 83 I HN 0.581 nan 8.210 nan 0.000 0.437 84 K N 0.866 121.292 120.400 0.044 0.000 2.218 84 K HA -0.221 4.100 4.320 0.003 0.000 0.205 84 K C 1.780 178.289 176.600 -0.150 0.000 1.046 84 K CA 1.694 57.901 56.287 -0.133 0.000 0.933 84 K CB -0.223 32.093 32.500 -0.307 0.000 0.728 84 K HN 0.252 nan 8.250 nan 0.000 0.454 85 F N 1.620 121.588 119.950 0.030 0.000 2.710 85 F HA 0.058 4.586 4.527 0.001 0.000 0.298 85 F C 0.210 176.028 175.800 0.031 0.000 1.137 85 F CA -0.175 57.848 58.000 0.039 0.000 1.444 85 F CB -0.091 38.939 39.000 0.051 0.000 1.111 85 F HN -0.138 nan 8.300 nan 0.000 0.580 86 D N 0.718 121.235 120.400 0.194 0.000 2.382 86 D HA 0.342 4.984 4.640 0.003 0.000 0.259 86 D C 1.421 177.728 176.300 0.012 0.000 1.224 86 D CA 1.049 55.092 54.000 0.072 0.000 0.894 86 D CB 0.786 41.609 40.800 0.040 0.000 1.127 86 D HN 0.376 nan 8.370 nan 0.000 0.487 87 G N 1.104 109.893 108.800 -0.017 0.000 2.184 87 G HA2 -0.254 3.708 3.960 0.003 0.000 0.206 87 G HA3 -0.254 3.708 3.960 0.003 0.000 0.206 87 G C 0.442 175.350 174.900 0.014 0.000 0.995 87 G CA -0.063 45.022 45.100 -0.025 0.000 0.651 87 G HN 0.759 nan 8.290 nan 0.000 0.511 88 V N -0.359 119.591 119.914 0.060 0.000 2.814 88 V HA 0.298 4.419 4.120 0.003 0.000 0.307 88 V C 1.404 177.550 176.094 0.087 0.000 1.089 88 V CA 1.273 63.625 62.300 0.087 0.000 1.212 88 V CB 0.678 32.589 31.823 0.147 0.000 0.912 88 V HN 0.503 nan 8.190 nan 0.000 0.497 89 E N 1.488 121.752 120.200 0.106 0.000 2.478 89 E HA 0.019 4.371 4.350 0.003 0.000 0.198 89 E C 0.074 176.801 176.600 0.212 0.000 1.046 89 E CA 0.665 57.143 56.400 0.130 0.000 0.870 89 E CB 0.116 29.901 29.700 0.140 0.000 0.818 89 E HN 0.876 nan 8.360 nan 0.000 0.527 90 D N -0.322 120.207 120.400 0.215 0.000 2.896 90 D HA 0.120 4.761 4.640 0.003 0.000 0.241 90 D C 0.861 177.273 176.300 0.187 0.000 1.188 90 D CA -0.471 53.681 54.000 0.254 0.000 0.879 90 D CB 1.392 42.340 40.800 0.247 0.000 1.553 90 D HN -0.237 nan 8.370 nan 0.000 0.515 91 M N 1.455 121.160 119.600 0.175 0.000 2.358 91 M HA -0.099 4.383 4.480 0.003 0.000 0.264 91 M C 1.653 178.032 176.300 0.131 0.000 1.064 91 M CA 0.774 56.156 55.300 0.136 0.000 1.093 91 M CB -0.934 31.738 32.600 0.121 0.000 1.401 91 M HN 0.291 nan 8.290 nan 0.000 0.440 92 S N 0.684 116.470 115.700 0.143 0.000 2.442 92 S HA -0.128 4.344 4.470 0.003 0.000 0.236 92 S C 1.550 176.219 174.600 0.116 0.000 1.007 92 S CA 0.983 59.255 58.200 0.119 0.000 0.965 92 S CB -0.486 62.782 63.200 0.113 0.000 0.773 92 S HN 0.588 nan 8.310 nan 0.000 0.504 93 E N 1.206 121.496 120.200 0.150 0.000 2.268 93 E HA 0.036 4.388 4.350 0.003 0.000 0.195 93 E C 0.062 176.804 176.600 0.237 0.000 0.995 93 E CA 0.183 56.701 56.400 0.197 0.000 0.836 93 E CB -0.415 29.413 29.700 0.213 0.000 0.763 93 E HN 0.552 nan 8.360 nan 0.000 0.491 94 L N 0.738 122.048 121.223 0.144 0.000 2.461 94 L HA 0.022 4.363 4.340 0.003 0.000 0.272 94 L C 1.576 178.369 176.870 -0.129 0.000 1.197 94 L CA -0.164 54.656 54.840 -0.033 0.000 0.836 94 L CB 0.661 42.684 42.059 -0.059 0.000 1.105 94 L HN -0.064 nan 8.230 nan 0.000 0.477 95 S N 1.391 116.842 115.700 -0.415 0.000 2.427 95 S HA 0.086 4.557 4.470 0.003 0.000 0.224 95 S C 0.588 175.001 174.600 -0.312 0.000 1.047 95 S CA -0.117 57.840 58.200 -0.405 0.000 0.953 95 S CB 0.016 62.838 63.200 -0.630 0.000 0.824 95 S HN 0.473 nan 8.310 nan 0.000 0.502 96 Y N 1.780 121.959 120.300 -0.202 0.000 2.477 96 Y HA 0.480 5.031 4.550 0.002 0.000 0.349 96 Y C -0.842 175.019 175.900 -0.065 0.000 0.977 96 Y CA -0.905 57.133 58.100 -0.105 0.000 1.214 96 Y CB 0.669 39.074 38.460 -0.091 0.000 1.124 96 Y HN 0.122 nan 8.280 nan 0.000 0.521 97 L N 5.653 126.951 121.223 0.125 0.000 2.321 97 L HA 0.302 4.644 4.340 0.003 0.000 0.272 97 L C -0.532 176.373 176.870 0.059 0.000 1.050 97 L CA -0.294 54.590 54.840 0.075 0.000 0.893 97 L CB -0.125 41.974 42.059 0.066 0.000 1.272 97 L HN 0.665 nan 8.230 nan 0.000 0.435 98 N N -0.757 117.963 118.700 0.032 0.000 2.629 98 N HA 0.372 5.113 4.740 0.003 0.000 0.279 98 N C 0.324 175.794 175.510 -0.068 0.000 1.344 98 N CA -0.965 52.080 53.050 -0.009 0.000 0.789 98 N CB 0.951 39.428 38.487 -0.016 0.000 1.508 98 N HN 0.220 nan 8.380 nan 0.000 0.516 99 E N -0.553 119.592 120.200 -0.091 0.000 2.012 99 E HA -0.120 4.231 4.350 0.003 0.000 0.197 99 E C -0.940 175.509 176.600 -0.251 0.000 1.007 99 E CA 1.583 57.915 56.400 -0.114 0.000 0.816 99 E CB -1.179 28.494 29.700 -0.045 0.000 0.762 99 E HN 0.572 nan 8.360 nan 0.000 0.451 100 P HA -0.245 nan 4.420 nan 0.000 0.217 100 P C 1.171 178.011 177.300 -0.766 0.000 1.151 100 P CA 2.036 64.531 63.100 -1.007 0.000 0.849 100 P CB -0.121 30.465 31.700 -1.857 0.000 0.787 101 A N -0.553 121.945 122.820 -0.537 0.000 1.902 101 A HA -0.144 4.177 4.320 0.003 0.000 0.217 101 A C 2.423 179.962 177.584 -0.075 0.000 1.181 101 A CA 2.032 53.941 52.037 -0.213 0.000 0.623 101 A CB -1.614 17.388 19.000 0.003 0.000 0.818 101 A HN 0.098 nan 8.150 nan 0.000 0.443 102 V N -1.303 118.573 119.914 -0.063 0.000 2.379 102 V HA -0.172 3.950 4.120 0.003 0.000 0.245 102 V C 2.238 178.327 176.094 -0.009 0.000 1.044 102 V CA 1.808 64.102 62.300 -0.010 0.000 1.036 102 V CB -0.968 30.862 31.823 0.012 0.000 0.664 102 V HN 0.607 nan 8.190 nan 0.000 0.453 103 F N 1.365 121.207 119.950 -0.180 0.000 2.069 103 F HA -0.250 4.278 4.527 0.002 0.000 0.298 103 F C 2.483 178.197 175.800 -0.144 0.000 1.113 103 F CA 2.378 60.273 58.000 -0.175 0.000 1.214 103 F CB -0.759 38.104 39.000 -0.228 0.000 0.978 103 F HN 0.321 nan 8.300 nan 0.000 0.474 104 H N 0.294 119.110 119.070 -0.424 0.000 2.319 104 H HA -0.224 4.334 4.556 0.003 0.000 0.297 104 H C 2.305 177.450 175.328 -0.306 0.000 1.097 104 H CA 2.404 58.176 56.048 -0.459 0.000 1.285 104 H CB -0.944 28.595 29.762 -0.371 0.000 1.368 104 H HN 0.448 nan 8.280 nan 0.000 0.495 105 N N -0.571 117.981 118.700 -0.245 0.000 2.104 105 N HA -0.170 4.572 4.740 0.003 0.000 0.190 105 N C 1.871 177.222 175.510 -0.264 0.000 1.024 105 N CA 1.105 54.006 53.050 -0.247 0.000 0.853 105 N CB -0.096 38.349 38.487 -0.071 0.000 1.008 105 N HN 0.265 nan 8.380 nan 0.000 0.424 106 L N 2.149 123.210 121.223 -0.269 0.000 2.012 106 L HA -0.160 4.182 4.340 0.003 0.000 0.210 106 L C 2.663 179.354 176.870 -0.298 0.000 1.073 106 L CA 1.524 56.214 54.840 -0.250 0.000 0.748 106 L CB -0.823 41.063 42.059 -0.287 0.000 0.891 106 L HN 0.172 nan 8.230 nan 0.000 0.431 107 R N -1.028 119.157 120.500 -0.524 0.000 2.070 107 R HA -0.148 4.193 4.340 0.003 0.000 0.233 107 R C 2.156 178.315 176.300 -0.236 0.000 1.137 107 R CA 2.012 57.834 56.100 -0.463 0.000 0.945 107 R CB -0.526 29.364 30.300 -0.684 0.000 0.845 107 R HN 0.229 nan 8.270 nan 0.000 0.430 108 V N 1.606 121.319 119.914 -0.334 0.000 2.317 108 V HA -0.335 3.787 4.120 0.003 0.000 0.251 108 V C 2.562 178.567 176.094 -0.147 0.000 1.065 108 V CA 2.428 64.575 62.300 -0.256 0.000 1.049 108 V CB -0.587 31.017 31.823 -0.365 0.000 0.651 108 V HN 0.447 nan 8.190 nan 0.000 0.450 109 R N -1.597 118.822 120.500 -0.135 0.000 2.066 109 R HA -0.156 4.186 4.340 0.003 0.000 0.232 109 R C 2.339 178.615 176.300 -0.041 0.000 1.131 109 R CA 1.816 57.869 56.100 -0.079 0.000 0.955 109 R CB -0.565 29.696 30.300 -0.065 0.000 0.851 109 R HN 0.556 nan 8.270 nan 0.000 0.432 110 Y N 2.323 122.524 120.300 -0.164 0.000 2.256 110 Y HA -0.214 4.337 4.550 0.002 0.000 0.288 110 Y C 1.715 177.551 175.900 -0.107 0.000 1.155 110 Y CA 1.373 59.390 58.100 -0.140 0.000 1.203 110 Y CB -0.160 38.212 38.460 -0.146 0.000 0.980 110 Y HN 0.055 nan 8.280 nan 0.000 0.530 111 N N 0.244 118.935 118.700 -0.015 0.000 2.364 111 N HA -0.154 4.587 4.740 0.003 0.000 0.183 111 N C 0.682 176.130 175.510 -0.103 0.000 1.022 111 N CA 1.385 54.402 53.050 -0.054 0.000 0.883 111 N CB -0.230 38.237 38.487 -0.033 0.000 0.965 111 N HN 0.586 nan 8.380 nan 0.000 0.438 112 Q N 0.121 119.853 119.800 -0.114 0.000 2.201 112 Q HA 0.118 4.460 4.340 0.003 0.000 0.217 112 Q C -0.648 175.268 176.000 -0.141 0.000 0.860 112 Q CA -0.234 55.502 55.803 -0.111 0.000 0.984 112 Q CB 0.644 29.328 28.738 -0.089 0.000 1.095 112 Q HN 0.042 nan 8.270 nan 0.000 0.477 113 D N -0.331 119.930 120.400 -0.231 0.000 3.059 113 D HA -0.191 4.450 4.640 0.003 0.000 0.213 113 D C -0.668 175.499 176.300 -0.220 0.000 1.144 113 D CA 0.928 54.758 54.000 -0.284 0.000 0.975 113 D CB -1.074 39.631 40.800 -0.158 0.000 1.125 113 D HN 0.368 nan 8.370 nan 0.000 0.412 114 L N 1.679 122.806 121.223 -0.160 0.000 2.454 114 L HA 0.164 4.506 4.340 0.003 0.000 0.284 114 L C 2.116 178.916 176.870 -0.117 0.000 1.139 114 L CA -0.150 54.619 54.840 -0.118 0.000 0.911 114 L CB -0.088 41.922 42.059 -0.081 0.000 1.262 114 L HN 0.161 nan 8.230 nan 0.000 0.453 115 I N -0.696 119.753 120.570 -0.202 0.000 3.564 115 I HA 0.074 4.246 4.170 0.003 0.000 0.294 115 I C -0.153 175.775 176.117 -0.315 0.000 1.289 115 I CA 0.237 61.379 61.300 -0.263 0.000 1.325 115 I CB -0.154 37.571 38.000 -0.459 0.000 1.039 115 I HN 0.300 nan 8.210 nan 0.000 0.474 116 Y N 0.650 120.868 120.300 -0.137 0.000 2.391 116 Y HA 0.591 5.142 4.550 0.002 0.000 0.341 116 Y C -0.214 175.565 175.900 -0.201 0.000 0.965 116 Y CA -0.953 57.036 58.100 -0.185 0.000 1.067 116 Y CB 2.230 40.533 38.460 -0.262 0.000 1.199 116 Y HN -0.112 nan 8.280 nan 0.000 0.450 117 T N 2.244 116.783 114.554 -0.025 0.000 2.956 117 T HA 0.337 4.689 4.350 0.003 0.000 0.312 117 T C -1.466 173.200 174.700 -0.056 0.000 1.151 117 T CA -0.919 61.137 62.100 -0.073 0.000 1.024 117 T CB 0.901 69.769 68.868 0.001 0.000 1.140 117 T HN 0.220 nan 8.240 nan 0.000 0.473 118 Y N 1.120 121.500 120.300 0.134 0.000 2.301 118 Y HA 0.568 5.119 4.550 0.002 0.000 0.325 118 Y C 0.968 176.970 175.900 0.169 0.000 1.203 118 Y CA -0.694 57.503 58.100 0.162 0.000 1.255 118 Y CB 1.410 39.958 38.460 0.147 0.000 1.232 118 Y HN 0.520 nan 8.280 nan 0.000 0.501 119 S N 2.049 118.002 115.700 0.422 0.000 2.524 119 S HA 0.512 4.984 4.470 0.003 0.000 0.227 119 S C 0.523 175.345 174.600 0.370 0.000 1.304 119 S CA 0.019 58.426 58.200 0.345 0.000 1.185 119 S CB -0.499 62.882 63.200 0.302 0.000 1.104 119 S HN 1.183 nan 8.310 nan 0.000 0.475 120 G N 4.287 113.243 108.800 0.260 0.000 2.672 120 G HA2 -0.329 3.633 3.960 0.003 0.000 0.332 120 G HA3 -0.329 3.633 3.960 0.003 0.000 0.332 120 G C 0.821 175.812 174.900 0.151 0.000 1.213 120 G CA 0.952 46.158 45.100 0.177 0.000 0.980 120 G HN 0.740 nan 8.290 nan 0.000 0.548 121 L N 0.341 121.625 121.223 0.103 0.000 2.313 121 L HA 0.291 4.633 4.340 0.003 0.000 0.214 121 L C 1.385 178.354 176.870 0.167 0.000 1.119 121 L CA 0.111 54.999 54.840 0.079 0.000 0.809 121 L CB -0.308 41.753 42.059 0.003 0.000 0.933 121 L HN 0.219 nan 8.230 nan 0.000 0.449 122 F N 0.079 120.224 119.950 0.324 0.000 2.371 122 F HA 0.316 4.845 4.527 0.002 0.000 0.329 122 F C 0.172 176.198 175.800 0.376 0.000 1.107 122 F CA -0.918 57.272 58.000 0.317 0.000 1.137 122 F CB 1.020 40.127 39.000 0.180 0.000 1.214 122 F HN -0.257 nan 8.300 nan 0.000 0.536 123 L N 3.415 124.982 121.223 0.574 0.000 2.277 123 L HA 0.519 4.861 4.340 0.003 0.000 0.284 123 L C -0.879 176.137 176.870 0.244 0.000 1.028 123 L CA -0.463 54.598 54.840 0.369 0.000 0.835 123 L CB 0.659 42.881 42.059 0.272 0.000 1.215 123 L HN 0.319 nan 8.230 nan 0.000 0.425 124 V N 4.581 124.591 119.914 0.160 0.000 2.567 124 V HA 0.804 4.926 4.120 0.003 0.000 0.289 124 V C 0.374 176.524 176.094 0.092 0.000 1.049 124 V CA -0.166 62.186 62.300 0.086 0.000 0.969 124 V CB 1.274 33.117 31.823 0.033 0.000 0.995 124 V HN 0.943 nan 8.190 nan 0.000 0.471 125 A N 4.587 127.437 122.820 0.050 0.000 2.457 125 A HA 0.715 5.036 4.320 0.003 0.000 0.283 125 A C -0.929 176.586 177.584 -0.114 0.000 1.166 125 A CA -0.432 51.598 52.037 -0.011 0.000 0.740 125 A CB 1.240 20.307 19.000 0.112 0.000 1.181 125 A HN 0.589 nan 8.150 nan 0.000 0.446 126 V N 3.295 123.121 119.914 -0.146 0.000 2.432 126 V HA 0.191 4.313 4.120 0.003 0.000 0.275 126 V C 0.630 176.644 176.094 -0.133 0.000 1.043 126 V CA -0.889 61.327 62.300 -0.139 0.000 0.925 126 V CB 1.237 32.954 31.823 -0.177 0.000 0.985 126 V HN 0.901 nan 8.190 nan 0.000 0.466 127 N N 7.360 125.931 118.700 -0.215 0.000 2.458 127 N HA 0.110 4.851 4.740 0.003 0.000 0.258 127 N C -1.648 173.698 175.510 -0.273 0.000 1.219 127 N CA -1.326 51.505 53.050 -0.366 0.000 0.902 127 N CB 1.660 39.772 38.487 -0.624 0.000 1.076 127 N HN 0.320 nan 8.380 nan 0.000 0.455 128 P HA 0.182 nan 4.420 nan 0.000 0.244 128 P C -0.251 177.024 177.300 -0.041 0.000 1.191 128 P CA 0.221 63.251 63.100 -0.117 0.000 0.829 128 P CB 0.375 31.958 31.700 -0.196 0.000 1.008 129 F N -0.292 119.674 119.950 0.027 0.000 3.018 129 F HA -0.255 4.274 4.527 0.002 0.000 0.287 129 F C 0.559 176.355 175.800 -0.006 0.000 0.813 129 F CA 0.578 58.588 58.000 0.016 0.000 1.209 129 F CB -1.595 37.426 39.000 0.035 0.000 1.321 129 F HN 0.123 nan 8.300 nan 0.000 0.477 130 K N -0.981 119.467 120.400 0.080 0.000 2.685 130 K HA 0.535 4.856 4.320 0.003 0.000 0.290 130 K C -1.094 175.506 176.600 0.000 0.000 1.018 130 K CA -1.316 54.999 56.287 0.046 0.000 0.860 130 K CB 1.226 33.742 32.500 0.028 0.000 1.498 130 K HN -0.111 nan 8.250 nan 0.000 0.390 131 R N 1.859 122.362 120.500 0.004 0.000 2.248 131 R HA 0.389 4.731 4.340 0.003 0.000 0.328 131 R C -0.312 175.963 176.300 -0.041 0.000 1.067 131 R CA -0.279 55.819 56.100 -0.002 0.000 0.924 131 R CB -0.180 30.126 30.300 0.009 0.000 1.013 131 R HN 0.521 nan 8.270 nan 0.000 0.454 132 I N 5.162 125.698 120.570 -0.056 0.000 2.406 132 I HA 0.256 4.427 4.170 0.003 0.000 0.290 132 I C -1.844 174.152 176.117 -0.202 0.000 0.999 132 I CA -2.338 58.859 61.300 -0.173 0.000 1.124 132 I CB 2.324 40.208 38.000 -0.194 0.000 1.289 132 I HN 0.186 nan 8.210 nan 0.000 0.441 133 P HA 0.203 nan 4.420 nan 0.000 0.225 133 P C 0.318 177.418 177.300 -0.334 0.000 1.813 133 P CA 0.169 63.098 63.100 -0.286 0.000 1.013 133 P CB -0.446 31.026 31.700 -0.380 0.000 1.961 134 I N -3.466 116.898 120.570 -0.345 0.000 3.833 134 I HA 0.324 4.496 4.170 0.003 0.000 0.328 134 I C -0.439 175.492 176.117 -0.310 0.000 1.554 134 I CA -0.569 60.533 61.300 -0.331 0.000 1.116 134 I CB -0.021 37.720 38.000 -0.432 0.000 1.182 134 I HN -0.151 nan 8.210 nan 0.000 0.459 135 Y N 1.614 121.994 120.300 0.132 0.000 2.672 135 Y HA 0.313 4.865 4.550 0.003 0.000 0.272 135 Y C 1.126 177.235 175.900 0.349 0.000 1.055 135 Y CA -0.843 57.402 58.100 0.241 0.000 1.151 135 Y CB 0.199 38.737 38.460 0.130 0.000 1.190 135 Y HN 0.201 nan 8.280 nan 0.000 0.574 136 T N -3.833 110.961 114.554 0.400 0.000 2.881 136 T HA 0.150 4.502 4.350 0.003 0.000 0.278 136 T C 1.187 176.042 174.700 0.259 0.000 0.982 136 T CA -0.509 61.757 62.100 0.277 0.000 0.989 136 T CB 1.614 70.586 68.868 0.173 0.000 1.058 136 T HN 0.129 nan 8.240 nan 0.000 0.529 137 Q N 0.333 120.224 119.800 0.152 0.000 2.135 137 Q HA -0.128 4.213 4.340 0.003 0.000 0.204 137 Q C 1.857 177.905 176.000 0.081 0.000 0.981 137 Q CA 1.943 57.793 55.803 0.080 0.000 0.856 137 Q CB -0.574 28.189 28.738 0.043 0.000 0.902 137 Q HN 0.841 nan 8.270 nan 0.000 0.425 138 E N -0.720 119.543 120.200 0.106 0.000 2.031 138 E HA -0.165 4.186 4.350 0.003 0.000 0.193 138 E C 1.826 178.509 176.600 0.138 0.000 0.994 138 E CA 1.607 58.065 56.400 0.096 0.000 0.800 138 E CB -0.235 29.523 29.700 0.096 0.000 0.752 138 E HN 0.335 nan 8.360 nan 0.000 0.447 139 M N 0.164 119.901 119.600 0.228 0.000 2.149 139 M HA -0.142 4.339 4.480 0.003 0.000 0.261 139 M C 2.262 178.844 176.300 0.470 0.000 1.064 139 M CA 1.074 56.596 55.300 0.370 0.000 1.102 139 M CB -0.834 32.024 32.600 0.430 0.000 1.369 139 M HN 0.047 nan 8.290 nan 0.000 0.408 140 V N 1.052 121.137 119.914 0.284 0.000 2.261 140 V HA -0.269 3.853 4.120 0.003 0.000 0.246 140 V C 1.793 177.925 176.094 0.063 0.000 1.047 140 V CA 2.003 64.307 62.300 0.008 0.000 1.015 140 V CB -0.803 30.878 31.823 -0.236 0.000 0.642 140 V HN 0.416 nan 8.190 nan 0.000 0.446 141 D N -0.290 120.120 120.400 0.016 0.000 2.350 141 D HA -0.081 4.560 4.640 0.003 0.000 0.216 141 D C 1.754 178.055 176.300 0.001 0.000 0.968 141 D CA 1.008 54.996 54.000 -0.020 0.000 0.894 141 D CB 0.006 40.785 40.800 -0.036 0.000 0.909 141 D HN 0.446 nan 8.370 nan 0.000 0.520 142 I N -0.722 119.868 120.570 0.034 0.000 3.226 142 I HA -0.071 4.101 4.170 0.003 0.000 0.277 142 I C 1.574 177.589 176.117 -0.170 0.000 1.243 142 I CA 0.375 61.589 61.300 -0.143 0.000 1.459 142 I CB 0.022 37.843 38.000 -0.298 0.000 1.093 142 I HN -0.170 nan 8.210 nan 0.000 0.453 143 F N 0.944 120.914 119.950 0.032 0.000 2.473 143 F HA 0.140 4.669 4.527 0.002 0.000 0.294 143 F C 1.136 176.999 175.800 0.106 0.000 1.103 143 F CA 0.014 58.064 58.000 0.084 0.000 1.442 143 F CB -0.087 38.995 39.000 0.137 0.000 1.097 143 F HN -0.267 nan 8.300 nan 0.000 0.547 144 K N 1.223 121.756 120.400 0.222 0.000 2.321 144 K HA 0.071 4.393 4.320 0.003 0.000 0.266 144 K C 1.094 177.744 176.600 0.085 0.000 1.215 144 K CA 0.932 57.286 56.287 0.112 0.000 1.225 144 K CB -0.738 31.750 32.500 -0.020 0.000 0.827 144 K HN 0.468 nan 8.250 nan 0.000 0.478 145 G N 2.497 111.368 108.800 0.119 0.000 2.176 145 G HA2 -0.252 3.709 3.960 0.003 0.000 0.253 145 G HA3 -0.252 3.709 3.960 0.003 0.000 0.253 145 G C -0.064 174.876 174.900 0.067 0.000 0.979 145 G CA -0.344 44.804 45.100 0.080 0.000 0.641 145 G HN 0.499 nan 8.290 nan 0.000 0.530 146 R N 0.572 121.119 120.500 0.079 0.000 2.531 146 R HA 0.576 4.917 4.340 0.003 0.000 0.273 146 R C 0.753 177.104 176.300 0.085 0.000 1.070 146 R CA -0.473 55.660 56.100 0.055 0.000 1.112 146 R CB 0.507 30.813 30.300 0.011 0.000 1.049 146 R HN 0.429 nan 8.270 nan 0.000 0.508 147 R N 0.762 121.301 120.500 0.065 0.000 2.637 147 R HA 0.139 4.481 4.340 0.003 0.000 0.269 147 R C 1.645 177.999 176.300 0.091 0.000 1.089 147 R CA -0.406 55.734 56.100 0.065 0.000 1.177 147 R CB 0.606 30.934 30.300 0.046 0.000 1.091 147 R HN 0.674 nan 8.270 nan 0.000 0.540 148 R N 1.345 121.888 120.500 0.072 0.000 2.159 148 R HA -0.185 4.157 4.340 0.003 0.000 0.237 148 R C 0.692 177.061 176.300 0.115 0.000 1.131 148 R CA 2.356 58.507 56.100 0.086 0.000 0.982 148 R CB -0.247 30.023 30.300 -0.051 0.000 0.868 148 R HN 0.745 nan 8.270 nan 0.000 0.453 149 N N -0.245 118.503 118.700 0.079 0.000 2.395 149 N HA -0.077 4.664 4.740 0.003 0.000 0.175 149 N C 1.302 176.873 175.510 0.102 0.000 1.029 149 N CA 0.645 53.750 53.050 0.091 0.000 0.897 149 N CB -0.073 38.452 38.487 0.063 0.000 0.991 149 N HN 0.313 nan 8.380 nan 0.000 0.441 150 E N 0.021 120.273 120.200 0.086 0.000 2.085 150 E HA -0.096 4.255 4.350 0.003 0.000 0.194 150 E C 0.402 177.042 176.600 0.068 0.000 0.994 150 E CA 1.316 57.755 56.400 0.066 0.000 0.801 150 E CB 0.175 29.898 29.700 0.039 0.000 0.743 150 E HN 0.423 nan 8.360 nan 0.000 0.453 151 V N -3.637 116.348 119.914 0.118 0.000 3.074 151 V HA 0.776 4.897 4.120 0.003 0.000 0.314 151 V C -0.187 176.072 176.094 0.274 0.000 1.117 151 V CA -0.896 61.489 62.300 0.141 0.000 1.014 151 V CB 1.506 33.302 31.823 -0.046 0.000 1.057 151 V HN 0.042 nan 8.190 nan 0.000 0.438 152 A N 2.434 125.427 122.820 0.289 0.000 2.466 152 A HA 0.612 4.934 4.320 0.003 0.000 0.238 152 A C -2.256 175.524 177.584 0.328 0.000 1.074 152 A CA -0.800 51.376 52.037 0.231 0.000 0.774 152 A CB -0.908 18.119 19.000 0.045 0.000 1.015 152 A HN 0.854 nan 8.150 nan 0.000 0.498 153 P HA 0.263 nan 4.420 nan 0.000 0.269 153 P C -0.372 176.856 177.300 -0.120 0.000 1.209 153 P CA 0.676 63.662 63.100 -0.190 0.000 0.776 153 P CB 0.391 31.701 31.700 -0.651 0.000 0.876 154 H N 1.300 120.028 119.070 -0.569 0.000 3.041 154 H HA 0.041 4.598 4.556 0.002 0.000 0.293 154 H C 0.309 175.080 175.328 -0.928 0.000 1.166 154 H CA -0.556 54.904 56.048 -0.979 0.000 1.529 154 H CB 0.874 30.184 29.762 -0.753 0.000 2.050 154 H HN 0.216 nan 8.280 nan 0.000 0.505 155 I N 4.060 124.010 120.570 -1.033 0.000 2.315 155 I HA -0.199 3.973 4.170 0.003 0.000 0.251 155 I C 1.853 177.863 176.117 -0.179 0.000 1.125 155 I CA 1.493 62.533 61.300 -0.433 0.000 1.392 155 I CB -0.584 37.247 38.000 -0.281 0.000 1.065 155 I HN 0.581 nan 8.210 nan 0.000 0.424 156 F N 0.087 119.887 119.950 -0.251 0.000 2.126 156 F HA -0.286 4.242 4.527 0.003 0.000 0.299 156 F C 2.496 177.759 175.800 -0.895 0.000 1.096 156 F CA 0.538 58.020 58.000 -0.863 0.000 1.255 156 F CB -0.577 37.684 39.000 -1.233 0.000 0.997 156 F HN 0.188 nan 8.300 nan 0.000 0.479 157 A N 0.494 123.020 122.820 -0.489 0.000 1.858 157 A HA -0.223 4.099 4.320 0.003 0.000 0.216 157 A C 2.004 179.553 177.584 -0.059 0.000 1.190 157 A CA 1.563 53.548 52.037 -0.087 0.000 0.617 157 A CB -1.038 18.085 19.000 0.205 0.000 0.827 157 A HN 0.390 nan 8.150 nan 0.000 0.443 158 I N 0.423 120.958 120.570 -0.059 0.000 2.361 158 I HA -0.214 3.958 4.170 0.003 0.000 0.251 158 I C 2.204 178.219 176.117 -0.169 0.000 1.133 158 I CA 1.968 63.242 61.300 -0.045 0.000 1.413 158 I CB 0.040 38.058 38.000 0.030 0.000 1.073 158 I HN 0.295 nan 8.210 nan 0.000 0.424 159 S N -0.728 114.855 115.700 -0.196 0.000 2.436 159 S HA -0.140 4.331 4.470 0.003 0.000 0.228 159 S C 1.654 176.181 174.600 -0.121 0.000 1.014 159 S CA 1.104 59.198 58.200 -0.178 0.000 0.950 159 S CB -0.465 62.610 63.200 -0.208 0.000 0.784 159 S HN 0.587 nan 8.310 nan 0.000 0.504 160 D N 1.501 121.800 120.400 -0.168 0.000 2.117 160 D HA -0.062 4.579 4.640 0.003 0.000 0.198 160 D C 1.784 178.129 176.300 0.075 0.000 0.982 160 D CA 0.761 54.799 54.000 0.063 0.000 0.828 160 D CB -0.100 40.784 40.800 0.141 0.000 0.967 160 D HN 0.126 nan 8.370 nan 0.000 0.464 161 V N 0.769 120.676 119.914 -0.012 0.000 2.332 161 V HA -0.277 3.845 4.120 0.003 0.000 0.248 161 V C 2.479 178.520 176.094 -0.088 0.000 1.055 161 V CA 1.833 64.110 62.300 -0.039 0.000 1.038 161 V CB -0.876 30.906 31.823 -0.068 0.000 0.651 161 V HN 0.351 nan 8.190 nan 0.000 0.450 162 A N -0.908 121.792 122.820 -0.199 0.000 1.865 162 A HA -0.295 4.027 4.320 0.003 0.000 0.217 162 A C 2.164 179.730 177.584 -0.031 0.000 1.191 162 A CA 2.248 54.182 52.037 -0.171 0.000 0.623 162 A CB -0.897 17.981 19.000 -0.203 0.000 0.826 162 A HN 0.632 nan 8.150 nan 0.000 0.444 163 Y N 0.727 120.954 120.300 -0.122 0.000 2.128 163 Y HA -0.269 4.282 4.550 0.002 0.000 0.284 163 Y C 2.584 178.376 175.900 -0.181 0.000 1.154 163 Y CA 2.281 60.280 58.100 -0.168 0.000 1.149 163 Y CB -0.072 38.321 38.460 -0.111 0.000 0.976 163 Y HN 0.199 nan 8.280 nan 0.000 0.505 164 R N -0.031 120.452 120.500 -0.029 0.000 2.073 164 R HA -0.125 4.216 4.340 0.003 0.000 0.234 164 R C 2.377 178.561 176.300 -0.193 0.000 1.134 164 R CA 1.421 57.441 56.100 -0.133 0.000 0.952 164 R CB -1.432 28.854 30.300 -0.023 0.000 0.850 164 R HN 0.327 nan 8.270 nan 0.000 0.433 165 S N 1.692 117.320 115.700 -0.120 0.000 2.374 165 S HA -0.197 4.275 4.470 0.003 0.000 0.227 165 S C 1.887 176.367 174.600 -0.201 0.000 1.037 165 S CA 1.648 59.782 58.200 -0.110 0.000 1.024 165 S CB -0.283 62.905 63.200 -0.020 0.000 0.861 165 S HN 0.346 nan 8.310 nan 0.000 0.456 166 M N 0.908 120.335 119.600 -0.289 0.000 2.117 166 M HA -0.089 4.392 4.480 0.003 0.000 0.262 166 M C 1.838 177.807 176.300 -0.552 0.000 1.065 166 M CA 1.537 56.594 55.300 -0.406 0.000 1.114 166 M CB -0.266 32.060 32.600 -0.457 0.000 1.361 166 M HN 0.286 nan 8.290 nan 0.000 0.408 167 L N 0.012 120.887 121.223 -0.580 0.000 2.056 167 L HA -0.222 4.119 4.340 0.003 0.000 0.207 167 L C 1.787 178.440 176.870 -0.363 0.000 1.078 167 L CA 1.159 55.676 54.840 -0.538 0.000 0.749 167 L CB -0.814 40.916 42.059 -0.549 0.000 0.901 167 L HN 0.318 nan 8.230 nan 0.000 0.433 168 D N -0.658 119.577 120.400 -0.275 0.000 2.317 168 D HA -0.092 4.550 4.640 0.003 0.000 0.211 168 D C 0.954 177.164 176.300 -0.150 0.000 0.966 168 D CA 0.786 54.679 54.000 -0.178 0.000 0.876 168 D CB 0.033 40.760 40.800 -0.122 0.000 0.927 168 D HN 0.385 nan 8.370 nan 0.000 0.519 169 D N -0.121 120.173 120.400 -0.177 0.000 2.498 169 D HA 0.024 4.666 4.640 0.003 0.000 0.223 169 D C 0.309 176.530 176.300 -0.132 0.000 1.125 169 D CA -0.074 53.854 54.000 -0.119 0.000 0.835 169 D CB 0.755 41.508 40.800 -0.078 0.000 1.086 169 D HN -0.097 nan 8.370 nan 0.000 0.510 170 R N 0.911 121.238 120.500 -0.288 0.000 3.641 170 R HA -0.222 4.120 4.340 0.003 0.000 0.286 170 R C 0.134 176.422 176.300 -0.021 0.000 1.153 170 R CA 0.424 56.280 56.100 -0.407 0.000 0.775 170 R CB -3.117 27.145 30.300 -0.064 0.000 1.215 170 R HN 0.425 nan 8.270 nan 0.000 0.474 171 Q N 0.908 120.646 119.800 -0.104 0.000 2.312 171 Q HA 0.338 4.679 4.340 0.003 0.000 0.263 171 Q C -0.378 175.596 176.000 -0.044 0.000 0.995 171 Q CA -0.745 55.064 55.803 0.010 0.000 0.853 171 Q CB 1.199 29.930 28.738 -0.012 0.000 1.300 171 Q HN 0.146 nan 8.270 nan 0.000 0.448 172 N N 2.725 121.388 118.700 -0.061 0.000 2.482 172 N HA 0.112 4.853 4.740 0.003 0.000 0.260 172 N C -0.581 174.762 175.510 -0.278 0.000 1.236 172 N CA 0.145 52.984 53.050 -0.352 0.000 0.938 172 N CB 0.819 38.713 38.487 -0.989 0.000 1.128 172 N HN 0.571 nan 8.380 nan 0.000 0.448 173 Q N -0.054 119.570 119.800 -0.294 0.000 2.495 173 Q HA 0.619 4.960 4.340 0.003 0.000 0.283 173 Q C -0.630 175.397 176.000 0.044 0.000 1.097 173 Q CA -0.852 54.922 55.803 -0.048 0.000 0.836 173 Q CB 2.000 30.784 28.738 0.077 0.000 1.426 173 Q HN 0.741 nan 8.270 nan 0.000 0.459 174 S N -0.084 115.704 115.700 0.148 0.000 2.543 174 S HA 0.647 5.118 4.470 0.003 0.000 0.273 174 S C -1.353 173.346 174.600 0.165 0.000 1.152 174 S CA -0.776 57.545 58.200 0.202 0.000 0.910 174 S CB 0.833 64.170 63.200 0.228 0.000 1.105 174 S HN 0.342 nan 8.310 nan 0.000 0.465 175 L N 2.330 123.654 121.223 0.168 0.000 2.333 175 L HA 0.584 4.926 4.340 0.003 0.000 0.280 175 L C -1.153 175.769 176.870 0.088 0.000 1.004 175 L CA -0.520 54.392 54.840 0.119 0.000 0.820 175 L CB 1.524 43.661 42.059 0.130 0.000 1.247 175 L HN 0.664 nan 8.230 nan 0.000 0.416 176 L N 5.464 126.688 121.223 0.002 0.000 2.255 176 L HA 0.466 4.808 4.340 0.003 0.000 0.289 176 L C -0.375 176.580 176.870 0.141 0.000 1.046 176 L CA 0.192 55.076 54.840 0.073 0.000 0.816 176 L CB 0.652 42.739 42.059 0.047 0.000 1.197 176 L HN 0.391 nan 8.230 nan 0.000 0.427 177 I N 3.312 123.960 120.570 0.131 0.000 2.354 177 I HA 0.530 4.702 4.170 0.003 0.000 0.286 177 I C 0.163 176.337 176.117 0.094 0.000 1.007 177 I CA -0.262 61.110 61.300 0.120 0.000 1.167 177 I CB 1.356 39.414 38.000 0.096 0.000 1.320 177 I HN 0.621 nan 8.210 nan 0.000 0.458 178 T N 1.768 116.377 114.554 0.091 0.000 2.865 178 T HA 0.975 5.326 4.350 0.003 0.000 0.294 178 T C -0.255 174.464 174.700 0.033 0.000 1.119 178 T CA -0.702 61.429 62.100 0.052 0.000 1.007 178 T CB 2.468 71.362 68.868 0.043 0.000 1.225 178 T HN 0.998 nan 8.240 nan 0.000 0.515 179 G N 0.262 109.072 108.800 0.017 0.000 2.368 179 G HA2 0.343 4.304 3.960 0.003 0.000 0.302 179 G HA3 0.343 4.304 3.960 0.003 0.000 0.302 179 G C -1.430 173.485 174.900 0.025 0.000 1.329 179 G CA -0.939 44.171 45.100 0.016 0.000 0.935 179 G HN 0.908 nan 8.290 nan 0.000 0.590 180 E N -0.027 120.194 120.200 0.035 0.000 2.409 180 E HA 0.363 4.714 4.350 0.003 0.000 0.257 180 E C 0.506 177.141 176.600 0.058 0.000 1.150 180 E CA 0.021 56.456 56.400 0.059 0.000 0.942 180 E CB 0.793 30.537 29.700 0.072 0.000 0.979 180 E HN 0.436 nan 8.360 nan 0.000 0.447 181 S N -0.017 115.730 115.700 0.079 0.000 2.544 181 S HA 0.219 4.690 4.470 0.003 0.000 0.290 181 S C 1.044 175.687 174.600 0.072 0.000 1.276 181 S CA 0.899 59.140 58.200 0.068 0.000 1.075 181 S CB -0.367 62.875 63.200 0.070 0.000 0.849 181 S HN 0.758 nan 8.310 nan 0.000 0.494 182 G N 3.529 112.370 108.800 0.069 0.000 2.234 182 G HA2 -0.254 3.708 3.960 0.003 0.000 0.235 182 G HA3 -0.254 3.708 3.960 0.003 0.000 0.235 182 G C 1.009 175.957 174.900 0.080 0.000 0.997 182 G CA 0.320 45.486 45.100 0.110 0.000 0.623 182 G HN 1.366 nan 8.290 nan 0.000 0.514 183 A N -0.169 122.670 122.820 0.031 0.000 2.067 183 A HA 0.482 4.803 4.320 0.003 0.000 0.219 183 A C 2.718 180.256 177.584 -0.076 0.000 1.158 183 A CA 2.656 54.676 52.037 -0.028 0.000 0.661 183 A CB -0.427 18.564 19.000 -0.015 0.000 0.801 183 A HN 2.506 nan 8.150 nan 0.000 0.452 184 G N -1.416 107.355 108.800 -0.049 0.000 2.421 184 G HA2 -0.205 3.756 3.960 0.003 0.000 0.188 184 G HA3 -0.205 3.756 3.960 0.003 0.000 0.188 184 G C 0.997 175.878 174.900 -0.032 0.000 1.001 184 G CA 0.451 45.511 45.100 -0.066 0.000 0.693 184 G HN 0.417 nan 8.290 nan 0.000 0.479 185 K N 0.311 120.705 120.400 -0.010 0.000 2.044 185 K HA -0.244 4.077 4.320 0.003 0.000 0.224 185 K C 2.348 178.948 176.600 0.001 0.000 1.056 185 K CA 2.406 58.696 56.287 0.005 0.000 0.962 185 K CB -0.885 31.620 32.500 0.008 0.000 0.730 185 K HN 0.358 nan 8.250 nan 0.000 0.453 186 T N 1.211 115.760 114.554 -0.008 0.000 2.788 186 T HA -0.126 4.226 4.350 0.003 0.000 0.268 186 T C 1.708 176.402 174.700 -0.010 0.000 1.044 186 T CA 1.175 63.272 62.100 -0.006 0.000 1.139 186 T CB -0.140 68.726 68.868 -0.004 0.000 0.867 186 T HN 0.202 nan 8.240 nan 0.000 0.454 187 E N 1.813 121.994 120.200 -0.032 0.000 2.005 187 E HA -0.104 4.247 4.350 0.003 0.000 0.198 187 E C 2.325 178.871 176.600 -0.091 0.000 1.010 187 E CA 0.995 57.349 56.400 -0.077 0.000 0.825 187 E CB -0.667 28.966 29.700 -0.112 0.000 0.769 187 E HN 0.473 nan 8.360 nan 0.000 0.456 188 N N 0.074 118.735 118.700 -0.065 0.000 2.094 188 N HA -0.145 4.596 4.740 0.003 0.000 0.191 188 N C 1.867 177.383 175.510 0.010 0.000 1.023 188 N CA 1.717 54.752 53.050 -0.025 0.000 0.857 188 N CB -0.404 38.106 38.487 0.037 0.000 1.013 188 N HN 0.177 nan 8.380 nan 0.000 0.426 189 T N 1.885 116.450 114.554 0.017 0.000 2.635 189 T HA -0.134 4.218 4.350 0.003 0.000 0.267 189 T C 1.877 176.600 174.700 0.039 0.000 1.040 189 T CA 1.262 63.383 62.100 0.034 0.000 1.156 189 T CB -0.102 68.784 68.868 0.029 0.000 0.863 189 T HN 0.312 nan 8.240 nan 0.000 0.430 190 K N 0.476 120.890 120.400 0.023 0.000 2.152 190 K HA -0.088 4.233 4.320 0.003 0.000 0.206 190 K C 2.400 179.035 176.600 0.057 0.000 1.048 190 K CA 0.845 57.151 56.287 0.031 0.000 0.933 190 K CB -0.017 32.491 32.500 0.013 0.000 0.721 190 K HN 0.100 nan 8.250 nan 0.000 0.447 191 K N 0.827 121.255 120.400 0.046 0.000 2.026 191 K HA -0.084 4.237 4.320 0.003 0.000 0.208 191 K C 2.172 178.947 176.600 0.292 0.000 1.048 191 K CA 0.786 57.172 56.287 0.165 0.000 0.929 191 K CB -0.869 31.675 32.500 0.073 0.000 0.713 191 K HN -0.056 nan 8.250 nan 0.000 0.439 192 V N 2.004 122.035 119.914 0.195 0.000 2.250 192 V HA -0.287 3.835 4.120 0.003 0.000 0.250 192 V C 2.347 178.550 176.094 0.182 0.000 1.060 192 V CA 1.897 64.305 62.300 0.179 0.000 1.030 192 V CB -0.408 31.481 31.823 0.109 0.000 0.643 192 V HN 0.227 nan 8.190 nan 0.000 0.445 193 I N -0.556 120.091 120.570 0.128 0.000 2.208 193 I HA -0.348 3.824 4.170 0.003 0.000 0.245 193 I C 2.634 178.812 176.117 0.102 0.000 1.097 193 I CA 2.073 63.433 61.300 0.101 0.000 1.363 193 I CB -0.534 37.502 38.000 0.061 0.000 1.051 193 I HN 0.467 nan 8.210 nan 0.000 0.413 194 Q N 0.748 120.619 119.800 0.118 0.000 2.014 194 Q HA -0.317 4.024 4.340 0.003 0.000 0.207 194 Q C 2.417 178.452 176.000 0.057 0.000 0.993 194 Q CA 2.419 58.281 55.803 0.099 0.000 0.850 194 Q CB -0.483 28.355 28.738 0.167 0.000 0.916 194 Q HN 0.571 nan 8.270 nan 0.000 0.417 195 Y N 0.682 120.935 120.300 -0.078 0.000 2.165 195 Y HA -0.231 4.320 4.550 0.003 0.000 0.286 195 Y C 2.017 177.803 175.900 -0.191 0.000 1.155 195 Y CA 1.635 59.564 58.100 -0.286 0.000 1.164 195 Y CB -0.143 38.103 38.460 -0.357 0.000 0.978 195 Y HN 0.157 nan 8.280 nan 0.000 0.513 196 L N -0.596 120.718 121.223 0.152 0.000 2.027 196 L HA -0.200 4.142 4.340 0.003 0.000 0.206 196 L C 2.658 179.524 176.870 -0.006 0.000 1.074 196 L CA 1.301 56.195 54.840 0.091 0.000 0.745 196 L CB -0.948 41.244 42.059 0.222 0.000 0.898 196 L HN 0.366 nan 8.230 nan 0.000 0.433 197 A N -1.320 121.508 122.820 0.014 0.000 2.125 197 A HA -0.184 4.138 4.320 0.003 0.000 0.219 197 A C 2.471 180.022 177.584 -0.056 0.000 1.156 197 A CA 1.802 53.842 52.037 0.005 0.000 0.671 197 A CB -0.340 18.663 19.000 0.005 0.000 0.794 197 A HN 0.456 nan 8.150 nan 0.000 0.459 198 S N -0.456 115.150 115.700 -0.157 0.000 2.412 198 S HA -0.079 4.393 4.470 0.003 0.000 0.223 198 S C 1.998 176.440 174.600 -0.262 0.000 1.048 198 S CA 1.350 59.425 58.200 -0.208 0.000 0.954 198 S CB -0.723 62.325 63.200 -0.254 0.000 0.840 198 S HN 0.866 nan 8.310 nan 0.000 0.503 199 V N 0.001 119.642 119.914 -0.455 0.000 2.548 199 V HA 0.378 4.500 4.120 0.003 0.000 0.249 199 V C 1.959 177.901 176.094 -0.254 0.000 1.055 199 V CA 1.487 63.521 62.300 -0.443 0.000 1.065 199 V CB -0.992 30.412 31.823 -0.698 0.000 0.681 199 V HN 0.553 nan 8.190 nan 0.000 0.462 200 A N 0.142 122.850 122.820 -0.187 0.000 2.538 200 A HA 0.707 5.028 4.320 0.003 0.000 0.269 200 A C 1.151 178.940 177.584 0.342 0.000 1.231 200 A CA 0.381 52.466 52.037 0.081 0.000 0.948 200 A CB -0.488 18.532 19.000 0.033 0.000 1.110 200 A HN 0.707 nan 8.150 nan 0.000 0.529 201 G N -0.299 108.602 108.800 0.168 0.000 2.528 201 G HA2 0.494 4.455 3.960 0.003 0.000 0.289 201 G HA3 0.494 4.455 3.960 0.003 0.000 0.289 201 G C -0.191 174.736 174.900 0.046 0.000 1.192 201 G CA -0.821 44.357 45.100 0.130 0.000 0.921 201 G HN 0.374 nan 8.290 nan 0.000 0.512 202 R N 0.014 120.469 120.500 -0.075 0.000 2.790 202 R HA 0.399 4.741 4.340 0.003 0.000 0.274 202 R C 0.331 176.550 176.300 -0.136 0.000 1.334 202 R CA -0.133 55.832 56.100 -0.225 0.000 1.543 202 R CB 0.142 30.208 30.300 -0.390 0.000 1.154 202 R HN 0.584 nan 8.270 nan 0.000 0.601 203 N N 0.669 119.310 118.700 -0.098 0.000 2.399 203 N HA 0.596 5.338 4.740 0.003 0.000 0.295 203 N C -0.221 175.249 175.510 -0.067 0.000 1.048 203 N CA -0.308 52.701 53.050 -0.069 0.000 0.886 203 N CB 1.469 39.927 38.487 -0.049 0.000 1.185 203 N HN 0.491 nan 8.380 nan 0.000 0.487 210 V N 0.539 120.434 119.914 -0.032 0.000 2.255 210 V HA -0.044 4.077 4.120 0.003 0.000 0.243 210 V C 2.745 178.820 176.094 -0.031 0.000 1.038 210 V CA 1.793 64.075 62.300 -0.029 0.000 1.008 210 V CB -0.921 30.883 31.823 -0.033 0.000 0.645 210 V HN 0.631 nan 8.190 nan 0.000 0.449 211 L N 0.845 122.047 121.223 -0.035 0.000 2.017 211 L HA -0.321 4.021 4.340 0.003 0.000 0.234 211 L C 2.469 179.319 176.870 -0.034 0.000 1.097 211 L CA 2.506 57.323 54.840 -0.039 0.000 0.816 211 L CB -1.245 40.793 42.059 -0.035 0.000 0.914 211 L HN 0.420 nan 8.230 nan 0.000 0.444 212 E N -1.046 119.138 120.200 -0.027 0.000 2.108 212 E HA -0.329 4.023 4.350 0.003 0.000 0.203 212 E C 2.150 178.741 176.600 -0.016 0.000 1.022 212 E CA 1.969 58.357 56.400 -0.019 0.000 0.823 212 E CB -0.276 29.415 29.700 -0.015 0.000 0.744 212 E HN 0.525 nan 8.360 nan 0.000 0.456 213 Q N 0.489 120.279 119.800 -0.016 0.000 1.985 213 Q HA -0.219 4.122 4.340 0.003 0.000 0.207 213 Q C 2.172 178.166 176.000 -0.009 0.000 0.996 213 Q CA 2.144 57.941 55.803 -0.010 0.000 0.851 213 Q CB -0.231 28.501 28.738 -0.010 0.000 0.921 213 Q HN 0.404 nan 8.270 nan 0.000 0.418 214 Q N -0.369 119.420 119.800 -0.018 0.000 2.077 214 Q HA -0.207 4.134 4.340 0.003 0.000 0.206 214 Q C 2.201 178.188 176.000 -0.022 0.000 0.989 214 Q CA 1.647 57.437 55.803 -0.021 0.000 0.853 214 Q CB -0.434 28.280 28.738 -0.041 0.000 0.907 214 Q HN 0.391 nan 8.270 nan 0.000 0.418 215 I N 0.704 121.256 120.570 -0.031 0.000 2.151 215 I HA -0.331 3.840 4.170 0.003 0.000 0.243 215 I C 2.235 178.345 176.117 -0.011 0.000 1.080 215 I CA 1.308 62.588 61.300 -0.033 0.000 1.339 215 I CB -0.230 37.746 38.000 -0.041 0.000 1.039 215 I HN 0.168 nan 8.210 nan 0.000 0.409 216 L N -0.376 120.846 121.223 -0.001 0.000 2.017 216 L HA -0.236 4.105 4.340 0.003 0.000 0.208 216 L C 2.581 179.465 176.870 0.024 0.000 1.073 216 L CA 1.133 55.982 54.840 0.015 0.000 0.745 216 L CB -0.742 41.328 42.059 0.017 0.000 0.894 216 L HN 0.265 nan 8.230 nan 0.000 0.432 217 Q N -0.026 119.787 119.800 0.022 0.000 2.368 217 Q HA -0.169 4.173 4.340 0.003 0.000 0.210 217 Q C 2.363 178.387 176.000 0.039 0.000 0.982 217 Q CA 1.374 57.197 55.803 0.033 0.000 0.884 217 Q CB -0.555 28.201 28.738 0.030 0.000 0.933 217 Q HN 0.571 nan 8.270 nan 0.000 0.460 218 A N 1.850 124.684 122.820 0.023 0.000 1.892 218 A HA -0.247 4.075 4.320 0.003 0.000 0.218 218 A C 1.970 179.582 177.584 0.048 0.000 1.188 218 A CA 1.612 53.659 52.037 0.017 0.000 0.631 218 A CB -0.565 18.429 19.000 -0.010 0.000 0.822 218 A HN 0.416 nan 8.150 nan 0.000 0.447 219 N N -0.019 118.722 118.700 0.069 0.000 2.025 219 N HA -0.138 4.603 4.740 0.003 0.000 0.194 219 N C -0.690 174.910 175.510 0.151 0.000 1.044 219 N CA 1.992 55.111 53.050 0.115 0.000 0.851 219 N CB -1.508 37.041 38.487 0.103 0.000 1.036 219 N HN 0.282 nan 8.380 nan 0.000 0.422 220 P HA -0.187 nan 4.420 nan 0.000 0.219 220 P C 1.683 179.092 177.300 0.182 0.000 1.161 220 P CA 1.291 64.477 63.100 0.144 0.000 0.909 220 P CB -0.185 31.578 31.700 0.105 0.000 0.793 221 I N -1.445 119.212 120.570 0.145 0.000 2.091 221 I HA -0.269 3.902 4.170 0.003 0.000 0.239 221 I C 2.584 178.842 176.117 0.234 0.000 1.061 221 I CA 1.528 62.922 61.300 0.157 0.000 1.317 221 I CB -0.859 37.157 38.000 0.028 0.000 1.031 221 I HN -0.125 nan 8.210 nan 0.000 0.401 222 L N 0.270 121.583 121.223 0.149 0.000 2.013 222 L HA -0.274 4.068 4.340 0.003 0.000 0.212 222 L C 2.550 179.667 176.870 0.412 0.000 1.073 222 L CA 1.771 56.736 54.840 0.209 0.000 0.753 222 L CB -0.830 41.374 42.059 0.242 0.000 0.890 222 L HN 0.357 nan 8.230 nan 0.000 0.432 223 E N 0.035 120.465 120.200 0.383 0.000 2.150 223 E HA -0.171 4.180 4.350 0.003 0.000 0.193 223 E C 2.280 179.122 176.600 0.404 0.000 0.985 223 E CA 0.949 57.598 56.400 0.415 0.000 0.814 223 E CB -0.165 29.738 29.700 0.338 0.000 0.752 223 E HN 0.519 nan 8.360 nan 0.000 0.466 224 A N 0.744 123.787 122.820 0.372 0.000 1.933 224 A HA -0.147 4.174 4.320 0.003 0.000 0.218 224 A C 1.703 179.377 177.584 0.150 0.000 1.175 224 A CA 1.212 53.410 52.037 0.269 0.000 0.628 224 A CB -0.466 18.637 19.000 0.172 0.000 0.814 224 A HN 0.183 nan 8.150 nan 0.000 0.444 225 F N -1.203 118.875 119.950 0.212 0.000 2.656 225 F HA 0.256 4.784 4.527 0.002 0.000 0.291 225 F C 2.239 178.087 175.800 0.080 0.000 1.122 225 F CA 0.719 58.823 58.000 0.173 0.000 1.427 225 F CB 0.115 39.175 39.000 0.101 0.000 1.125 225 F HN 0.275 nan 8.300 nan 0.000 0.583 226 G N -1.239 107.788 108.800 0.379 0.000 3.228 226 G HA2 0.113 4.075 3.960 0.003 0.000 0.245 226 G HA3 0.113 4.075 3.960 0.003 0.000 0.245 226 G C 0.013 175.298 174.900 0.642 0.000 1.051 226 G CA -0.086 45.181 45.100 0.278 0.000 0.809 226 G HN 0.033 nan 8.290 nan 0.000 0.531 227 N N 0.281 119.236 118.700 0.424 0.000 2.404 227 N HA 0.815 5.556 4.740 0.003 0.000 0.297 227 N C -0.444 174.868 175.510 -0.331 0.000 1.163 227 N CA -0.129 53.005 53.050 0.140 0.000 0.864 227 N CB 2.147 40.728 38.487 0.156 0.000 1.247 227 N HN 0.211 nan 8.380 nan 0.000 0.510 228 A N -0.043 122.600 122.820 -0.294 0.000 2.602 228 A HA 0.506 4.827 4.320 0.003 0.000 0.290 228 A C -1.298 176.257 177.584 -0.049 0.000 1.114 228 A CA -0.737 51.096 52.037 -0.341 0.000 0.683 228 A CB 1.288 20.021 19.000 -0.445 0.000 1.281 228 A HN 0.469 nan 8.150 nan 0.000 0.416 229 K N 1.589 121.980 120.400 -0.016 0.000 2.267 229 K HA 0.457 4.778 4.320 0.003 0.000 0.282 229 K C -0.020 176.535 176.600 -0.075 0.000 1.078 229 K CA 0.446 56.724 56.287 -0.015 0.000 0.903 229 K CB 0.374 32.849 32.500 -0.042 0.000 1.111 229 K HN 0.948 nan 8.250 nan 0.000 0.475 230 T N -0.258 114.260 114.554 -0.058 0.000 2.844 230 T HA 0.167 4.519 4.350 0.003 0.000 0.274 230 T C 1.432 176.092 174.700 -0.068 0.000 0.991 230 T CA -0.101 61.954 62.100 -0.075 0.000 0.983 230 T CB 1.004 69.829 68.868 -0.070 0.000 1.310 230 T HN 0.534 nan 8.240 nan 0.000 0.596 231 T N -1.885 112.623 114.554 -0.077 0.000 3.023 231 T HA 0.106 4.458 4.350 0.003 0.000 0.266 231 T C 1.827 176.490 174.700 -0.062 0.000 1.093 231 T CA 0.341 62.397 62.100 -0.074 0.000 1.129 231 T CB -0.220 68.599 68.868 -0.082 0.000 0.899 231 T HN 0.573 nan 8.240 nan 0.000 0.491 232 R N 0.855 121.325 120.500 -0.050 0.000 2.237 232 R HA 0.320 4.661 4.340 0.003 0.000 0.195 232 R C 0.093 176.398 176.300 0.009 0.000 0.956 232 R CA 0.201 56.287 56.100 -0.023 0.000 1.029 232 R CB 0.300 30.590 30.300 -0.017 0.000 0.972 232 R HN 0.390 nan 8.270 nan 0.000 0.493 233 N N -1.163 117.540 118.700 0.004 0.000 2.636 233 N HA 0.059 4.801 4.740 0.003 0.000 0.261 233 N C -1.112 174.413 175.510 0.024 0.000 1.195 233 N CA -0.495 52.578 53.050 0.037 0.000 0.902 233 N CB 0.774 39.298 38.487 0.063 0.000 1.627 233 N HN -0.171 nan 8.380 nan 0.000 0.491 234 N N 0.588 119.310 118.700 0.036 0.000 2.463 234 N HA -0.039 4.703 4.740 0.003 0.000 0.181 234 N C -0.456 175.107 175.510 0.088 0.000 1.078 234 N CA 0.425 53.492 53.050 0.028 0.000 0.902 234 N CB 0.125 38.616 38.487 0.007 0.000 0.970 234 N HN 0.399 nan 8.380 nan 0.000 0.451 235 N N 0.413 119.180 118.700 0.111 0.000 2.651 235 N HA -0.001 4.741 4.740 0.003 0.000 0.277 235 N C -1.469 174.122 175.510 0.136 0.000 1.787 235 N CA -0.162 53.003 53.050 0.191 0.000 0.818 235 N CB 0.473 39.054 38.487 0.157 0.000 1.316 235 N HN -0.133 nan 8.380 nan 0.000 0.503 236 S N 0.024 115.776 115.700 0.086 0.000 2.545 236 S HA 0.388 4.859 4.470 0.003 0.000 0.275 236 S C -0.029 174.607 174.600 0.059 0.000 1.299 236 S CA -0.365 57.867 58.200 0.053 0.000 1.048 236 S CB 0.384 63.600 63.200 0.026 0.000 0.938 236 S HN 0.279 nan 8.310 nan 0.000 0.496 237 S N 5.328 121.041 115.700 0.021 0.000 2.443 237 S HA 0.228 4.700 4.470 0.003 0.000 0.284 237 S C 0.783 175.399 174.600 0.026 0.000 1.206 237 S CA -0.746 57.430 58.200 -0.041 0.000 1.074 237 S CB 0.241 63.267 63.200 -0.291 0.000 0.963 237 S HN 0.660 nan 8.310 nan 0.000 0.501 238 R N 2.179 122.833 120.500 0.257 0.000 2.404 238 R HA 0.192 4.534 4.340 0.003 0.000 0.236 238 R C -0.292 176.217 176.300 0.349 0.000 1.044 238 R CA 0.086 56.353 56.100 0.280 0.000 1.133 238 R CB -1.022 29.500 30.300 0.369 0.000 1.142 238 R HN 0.742 nan 8.270 nan 0.000 0.512 239 F N -3.953 116.045 119.950 0.080 0.000 2.668 239 F HA 0.712 5.241 4.527 0.003 0.000 0.309 239 F C -0.064 175.816 175.800 0.134 0.000 1.117 239 F CA -1.637 56.408 58.000 0.075 0.000 0.951 239 F CB 0.726 39.733 39.000 0.012 0.000 1.323 239 F HN -0.141 nan 8.300 nan 0.000 0.451 240 G N 1.009 109.947 108.800 0.230 0.000 2.451 240 G HA2 0.642 4.603 3.960 0.003 0.000 0.303 240 G HA3 0.642 4.603 3.960 0.003 0.000 0.303 240 G C -1.692 173.409 174.900 0.336 0.000 1.166 240 G CA -0.903 44.335 45.100 0.231 0.000 0.884 240 G HN 1.094 nan 8.290 nan 0.000 0.514 241 K N -0.785 119.795 120.400 0.299 0.000 2.587 241 K HA 0.571 4.892 4.320 0.003 0.000 0.276 241 K C -2.312 174.505 176.600 0.361 0.000 0.956 241 K CA -1.013 55.429 56.287 0.259 0.000 0.857 241 K CB 1.878 34.524 32.500 0.242 0.000 1.431 241 K HN 0.453 nan 8.250 nan 0.000 0.420 242 F N 3.531 123.550 119.950 0.115 0.000 2.539 242 F HA 0.493 5.021 4.527 0.002 0.000 0.328 242 F C -1.264 174.571 175.800 0.058 0.000 1.148 242 F CA -1.040 57.038 58.000 0.130 0.000 0.940 242 F CB 1.141 40.264 39.000 0.205 0.000 1.194 242 F HN 0.377 nan 8.300 nan 0.000 0.438 243 I N 4.630 124.884 120.570 -0.527 0.000 2.392 243 I HA 0.332 4.504 4.170 0.003 0.000 0.295 243 I C -0.366 175.353 176.117 -0.663 0.000 0.985 243 I CA -0.554 60.487 61.300 -0.432 0.000 1.221 243 I CB 1.589 39.469 38.000 -0.201 0.000 1.366 243 I HN 0.667 nan 8.210 nan 0.000 0.467 244 E N 5.845 125.789 120.200 -0.426 0.000 2.155 244 E HA 0.436 4.787 4.350 0.003 0.000 0.264 244 E C -1.049 175.462 176.600 -0.148 0.000 0.886 244 E CA -0.603 55.617 56.400 -0.300 0.000 0.752 244 E CB 1.459 30.975 29.700 -0.308 0.000 1.133 244 E HN 0.370 nan 8.360 nan 0.000 0.414 245 I N 4.014 124.558 120.570 -0.044 0.000 2.304 245 I HA 0.170 4.341 4.170 0.003 0.000 0.291 245 I C 0.147 176.129 176.117 -0.225 0.000 1.018 245 I CA -0.381 60.817 61.300 -0.170 0.000 1.260 245 I CB 1.124 39.024 38.000 -0.166 0.000 1.390 245 I HN 0.481 nan 8.210 nan 0.000 0.475 246 Q N 5.154 124.768 119.800 -0.310 0.000 2.267 246 Q HA 0.538 4.880 4.340 0.003 0.000 0.255 246 Q C -1.235 174.502 176.000 -0.439 0.000 0.923 246 Q CA -0.091 55.603 55.803 -0.181 0.000 0.925 246 Q CB 1.566 30.242 28.738 -0.103 0.000 1.195 246 Q HN 0.408 nan 8.270 nan 0.000 0.417 247 F N 0.882 120.949 119.950 0.194 0.000 2.618 247 F HA 0.371 4.900 4.527 0.003 0.000 0.332 247 F C 0.243 176.147 175.800 0.172 0.000 1.061 247 F CA -1.209 56.900 58.000 0.181 0.000 0.974 247 F CB 1.156 40.263 39.000 0.177 0.000 1.310 247 F HN 0.550 nan 8.300 nan 0.000 0.491 248 N N -0.377 118.559 118.700 0.393 0.000 2.472 248 N HA 0.209 4.951 4.740 0.003 0.000 0.289 248 N C 0.099 175.765 175.510 0.259 0.000 1.156 248 N CA -0.673 52.540 53.050 0.272 0.000 0.940 248 N CB 0.263 38.881 38.487 0.218 0.000 1.200 248 N HN 0.607 nan 8.380 nan 0.000 0.511 249 N N 0.664 119.505 118.700 0.235 0.000 2.182 249 N HA -0.369 4.372 4.740 0.003 0.000 0.200 249 N C 1.412 176.968 175.510 0.077 0.000 0.989 249 N CA 2.587 55.770 53.050 0.220 0.000 0.907 249 N CB -0.781 37.795 38.487 0.148 0.000 1.048 249 N HN 0.699 nan 8.380 nan 0.000 0.494 250 A N -0.786 122.070 122.820 0.059 0.000 1.933 250 A HA 0.290 4.611 4.320 0.003 0.000 0.218 250 A C 2.022 179.454 177.584 -0.253 0.000 1.175 250 A CA 1.752 53.758 52.037 -0.052 0.000 0.628 250 A CB -0.811 18.222 19.000 0.056 0.000 0.814 250 A HN 0.957 nan 8.150 nan 0.000 0.444 251 G N -3.295 105.384 108.800 -0.202 0.000 2.173 251 G HA2 -0.081 3.880 3.960 0.003 0.000 0.142 251 G HA3 -0.081 3.880 3.960 0.003 0.000 0.142 251 G C -0.060 174.747 174.900 -0.155 0.000 1.019 251 G CA -0.226 44.687 45.100 -0.313 0.000 0.699 251 G HN 0.303 nan 8.290 nan 0.000 0.495 252 F N 0.883 120.999 119.950 0.278 0.000 2.399 252 F HA 0.625 5.154 4.527 0.003 0.000 0.328 252 F C 1.392 177.469 175.800 0.461 0.000 1.084 252 F CA -1.181 57.016 58.000 0.328 0.000 1.053 252 F CB 0.938 40.042 39.000 0.173 0.000 1.209 252 F HN -0.104 nan 8.300 nan 0.000 0.502 253 I N 1.861 122.802 120.570 0.619 0.000 2.683 253 I HA -0.066 4.106 4.170 0.003 0.000 0.286 253 I C 0.919 177.102 176.117 0.110 0.000 1.175 253 I CA 0.613 62.027 61.300 0.190 0.000 1.429 253 I CB 0.854 38.900 38.000 0.078 0.000 1.371 253 I HN 0.798 nan 8.210 nan 0.000 0.569 254 S N 3.339 119.031 115.700 -0.012 0.000 2.589 254 S HA 0.445 4.916 4.470 0.003 0.000 0.235 254 S C 0.415 174.985 174.600 -0.049 0.000 1.051 254 S CA 0.150 58.361 58.200 0.017 0.000 0.978 254 S CB 1.180 64.421 63.200 0.068 0.000 0.929 254 S HN 0.878 nan 8.310 nan 0.000 0.523 255 G N 0.207 108.936 108.800 -0.118 0.000 2.348 255 G HA2 0.693 4.655 3.960 0.003 0.000 0.296 255 G HA3 0.693 4.655 3.960 0.003 0.000 0.296 255 G C -1.649 173.158 174.900 -0.154 0.000 1.258 255 G CA -0.065 44.967 45.100 -0.114 0.000 0.868 255 G HN 1.194 nan 8.290 nan 0.000 0.488 256 A N -1.413 121.327 122.820 -0.132 0.000 2.544 256 A HA 0.995 5.317 4.320 0.003 0.000 0.291 256 A C -0.418 177.085 177.584 -0.135 0.000 1.055 256 A CA 0.585 52.536 52.037 -0.143 0.000 0.651 256 A CB 0.998 19.912 19.000 -0.143 0.000 1.296 256 A HN 2.475 nan 8.150 nan 0.000 0.431 257 S N -0.481 115.131 115.700 -0.146 0.000 2.618 257 S HA 0.882 5.354 4.470 0.003 0.000 0.277 257 S C -1.051 173.469 174.600 -0.133 0.000 1.138 257 S CA -0.630 57.488 58.200 -0.137 0.000 0.844 257 S CB 1.248 64.371 63.200 -0.128 0.000 1.127 257 S HN 1.031 nan 8.310 nan 0.000 0.474 258 I N 1.128 121.628 120.570 -0.115 0.000 2.608 258 I HA 0.589 4.760 4.170 0.003 0.000 0.295 258 I C -0.962 175.104 176.117 -0.086 0.000 1.049 258 I CA -0.577 60.668 61.300 -0.091 0.000 1.063 258 I CB 2.272 40.215 38.000 -0.096 0.000 1.248 258 I HN 0.711 nan 8.210 nan 0.000 0.424 259 Q N 4.070 123.833 119.800 -0.061 0.000 2.304 259 Q HA 0.509 4.850 4.340 0.003 0.000 0.270 259 Q C -1.173 174.622 176.000 -0.341 0.000 1.035 259 Q CA -0.540 55.154 55.803 -0.182 0.000 0.781 259 Q CB 2.070 30.733 28.738 -0.126 0.000 1.261 259 Q HN 0.741 nan 8.270 nan 0.000 0.444 260 S N 2.690 118.182 115.700 -0.347 0.000 2.537 260 S HA 0.816 5.287 4.470 0.003 0.000 0.301 260 S C -1.143 173.258 174.600 -0.332 0.000 1.092 260 S CA -0.467 57.638 58.200 -0.158 0.000 1.048 260 S CB 0.839 64.158 63.200 0.199 0.000 1.053 260 S HN 0.481 nan 8.310 nan 0.000 0.501 261 Y N 0.891 121.378 120.300 0.312 0.000 2.457 261 Y HA 0.545 5.097 4.550 0.003 0.000 0.343 261 Y C -0.044 175.962 175.900 0.176 0.000 0.994 261 Y CA -1.769 56.482 58.100 0.251 0.000 1.031 261 Y CB 1.262 39.890 38.460 0.281 0.000 1.246 261 Y HN 0.770 nan 8.280 nan 0.000 0.449 262 L N 2.407 123.774 121.223 0.241 0.000 3.746 262 L HA -0.239 4.103 4.340 0.003 0.000 0.542 262 L C -0.541 176.393 176.870 0.108 0.000 1.268 262 L CA 0.005 54.890 54.840 0.075 0.000 0.818 262 L CB -1.111 40.904 42.059 -0.073 0.000 1.472 262 L HN 0.487 nan 8.230 nan 0.000 0.843 263 L N 1.380 122.649 121.223 0.076 0.000 2.456 263 L HA 0.145 4.487 4.340 0.003 0.000 0.272 263 L C 1.177 178.085 176.870 0.063 0.000 1.189 263 L CA 0.484 55.329 54.840 0.008 0.000 0.846 263 L CB 0.818 42.738 42.059 -0.232 0.000 1.111 263 L HN 0.315 nan 8.230 nan 0.000 0.475 264 E N 3.828 124.116 120.200 0.148 0.000 1.852 264 E HA 0.019 4.370 4.350 0.003 0.000 0.276 264 E C 0.491 177.211 176.600 0.199 0.000 1.163 264 E CA -0.083 56.420 56.400 0.172 0.000 1.117 264 E CB 0.225 30.037 29.700 0.187 0.000 1.124 264 E HN 0.665 nan 8.360 nan 0.000 0.458 265 K N 0.610 121.085 120.400 0.125 0.000 2.280 265 K HA -0.144 4.177 4.320 0.003 0.000 0.202 265 K C 1.991 178.644 176.600 0.089 0.000 1.047 265 K CA 1.235 57.591 56.287 0.114 0.000 0.942 265 K CB -0.072 32.485 32.500 0.094 0.000 0.739 265 K HN 0.287 nan 8.250 nan 0.000 0.457 266 S N 2.121 117.875 115.700 0.090 0.000 2.399 266 S HA -0.215 4.256 4.470 0.003 0.000 0.231 266 S C 2.199 176.841 174.600 0.071 0.000 1.022 266 S CA 1.043 59.286 58.200 0.073 0.000 0.983 266 S CB -0.326 62.919 63.200 0.076 0.000 0.803 266 S HN 0.416 nan 8.310 nan 0.000 0.480 267 R N 0.920 121.466 120.500 0.077 0.000 2.159 267 R HA -0.041 4.301 4.340 0.003 0.000 0.237 267 R C 1.862 178.104 176.300 -0.097 0.000 1.131 267 R CA 1.399 57.490 56.100 -0.015 0.000 0.982 267 R CB -0.719 29.496 30.300 -0.143 0.000 0.868 267 R HN 0.363 nan 8.270 nan 0.000 0.453 268 V N 0.712 120.589 119.914 -0.061 0.000 2.392 268 V HA -0.215 3.907 4.120 0.003 0.000 0.249 268 V C 2.060 177.823 176.094 -0.553 0.000 1.059 268 V CA 1.900 64.023 62.300 -0.295 0.000 1.051 268 V CB 0.188 31.792 31.823 -0.364 0.000 0.658 268 V HN 0.561 nan 8.190 nan 0.000 0.455 269 V N -4.898 114.774 119.914 -0.404 0.000 3.578 269 V HA 0.456 4.577 4.120 0.003 0.000 0.290 269 V C 0.004 176.131 176.094 0.056 0.000 1.376 269 V CA -0.157 61.873 62.300 -0.450 0.000 1.083 269 V CB 0.160 31.845 31.823 -0.230 0.000 0.911 269 V HN 0.274 nan 8.190 nan 0.000 0.433 270 F N 1.152 121.030 119.950 -0.120 0.000 2.639 270 F HA 0.738 5.266 4.527 0.002 0.000 0.326 270 F C -1.523 174.240 175.800 -0.062 0.000 1.150 270 F CA -0.541 57.435 58.000 -0.039 0.000 1.057 270 F CB 1.832 40.827 39.000 -0.008 0.000 1.300 270 F HN 0.056 nan 8.300 nan 0.000 0.486 271 Q N 3.374 122.733 119.800 -0.736 0.000 2.356 271 Q HA 0.542 4.883 4.340 0.003 0.000 0.270 271 Q C -0.388 175.142 176.000 -0.783 0.000 1.058 271 Q CA -0.875 54.610 55.803 -0.530 0.000 0.802 271 Q CB 2.214 30.773 28.738 -0.299 0.000 1.303 271 Q HN 0.619 nan 8.270 nan 0.000 0.444 272 S N 1.411 116.869 115.700 -0.402 0.000 2.580 272 S HA 0.323 4.794 4.470 0.003 0.000 0.266 272 S C 0.089 174.557 174.600 -0.220 0.000 1.354 272 S CA 0.100 58.159 58.200 -0.234 0.000 1.008 272 S CB 0.206 63.380 63.200 -0.042 0.000 0.898 272 S HN 0.688 nan 8.310 nan 0.000 0.555 273 E N -0.180 119.937 120.200 -0.139 0.000 2.384 273 E HA 0.415 4.767 4.350 0.003 0.000 0.266 273 E C 1.149 177.692 176.600 -0.094 0.000 1.012 273 E CA 0.332 56.666 56.400 -0.109 0.000 0.901 273 E CB -1.319 28.343 29.700 -0.064 0.000 0.967 273 E HN 1.328 nan 8.360 nan 0.000 0.435 274 T N 0.254 114.754 114.554 -0.089 0.000 6.412 274 T HA -0.185 4.166 4.350 0.003 0.000 0.279 274 T C 0.585 175.231 174.700 -0.091 0.000 2.177 274 T CA 1.723 63.776 62.100 -0.079 0.000 3.599 274 T CB -1.968 66.859 68.868 -0.069 0.000 1.259 274 T HN 0.749 nan 8.240 nan 0.000 1.146 275 E N 0.053 120.187 120.200 -0.109 0.000 2.302 275 E HA 0.751 5.102 4.350 0.003 0.000 0.255 275 E C 0.199 176.729 176.600 -0.117 0.000 1.099 275 E CA -0.938 55.392 56.400 -0.117 0.000 0.929 275 E CB 1.181 30.802 29.700 -0.132 0.000 1.203 275 E HN 0.524 nan 8.360 nan 0.000 0.459 276 R N 0.547 120.972 120.500 -0.124 0.000 2.837 276 R HA 0.297 4.638 4.340 0.003 0.000 0.271 276 R C 0.060 176.326 176.300 -0.057 0.000 0.993 276 R CA -0.894 55.155 56.100 -0.084 0.000 0.931 276 R CB 1.425 31.555 30.300 -0.284 0.000 1.206 276 R HN 0.455 nan 8.270 nan 0.000 0.474 277 N N 0.376 119.169 118.700 0.155 0.000 2.290 277 N HA 0.014 4.755 4.740 0.003 0.000 0.269 277 N C -0.579 174.974 175.510 0.071 0.000 1.295 277 N CA 0.292 53.355 53.050 0.022 0.000 0.932 277 N CB 0.182 38.650 38.487 -0.032 0.000 1.128 277 N HN 0.239 nan 8.380 nan 0.000 0.532 278 Y N 1.180 121.650 120.300 0.284 0.000 2.597 278 Y HA -0.041 4.510 4.550 0.003 0.000 0.336 278 Y C 2.033 178.138 175.900 0.341 0.000 1.216 278 Y CA 0.138 58.360 58.100 0.204 0.000 1.463 278 Y CB 0.205 38.777 38.460 0.187 0.000 1.303 278 Y HN 0.484 nan 8.280 nan 0.000 0.576 279 H N 2.563 121.826 119.070 0.321 0.000 2.321 279 H HA -0.215 4.342 4.556 0.002 0.000 0.295 279 H C 1.973 177.387 175.328 0.145 0.000 1.102 279 H CA 2.143 58.323 56.048 0.220 0.000 1.266 279 H CB -0.630 29.192 29.762 0.098 0.000 1.363 279 H HN 0.681 nan 8.280 nan 0.000 0.492 280 I N 0.583 121.132 120.570 -0.035 0.000 2.103 280 I HA -0.306 3.866 4.170 0.003 0.000 0.241 280 I C 2.351 178.236 176.117 -0.386 0.000 1.036 280 I CA 1.049 62.110 61.300 -0.398 0.000 1.300 280 I CB -1.981 35.472 38.000 -0.911 0.000 1.010 280 I HN -0.034 nan 8.210 nan 0.000 0.406 281 F N 0.650 120.522 119.950 -0.130 0.000 2.085 281 F HA -0.277 4.251 4.527 0.002 0.000 0.299 281 F C 2.587 178.168 175.800 -0.366 0.000 1.096 281 F CA 2.152 59.956 58.000 -0.327 0.000 1.227 281 F CB -1.649 37.046 39.000 -0.508 0.000 0.983 281 F HN 0.098 nan 8.300 nan 0.000 0.482 282 Y N -0.167 120.151 120.300 0.030 0.000 2.242 282 Y HA -0.184 4.368 4.550 0.003 0.000 0.291 282 Y C 2.445 178.233 175.900 -0.188 0.000 1.137 282 Y CA 1.073 59.144 58.100 -0.050 0.000 1.181 282 Y CB -1.045 37.420 38.460 0.009 0.000 0.989 282 Y HN 0.135 nan 8.280 nan 0.000 0.527 283 Q N -0.321 119.415 119.800 -0.107 0.000 2.167 283 Q HA -0.152 4.190 4.340 0.003 0.000 0.202 283 Q C 2.105 177.532 176.000 -0.956 0.000 0.970 283 Q CA 1.179 56.768 55.803 -0.355 0.000 0.855 283 Q CB -0.322 28.293 28.738 -0.206 0.000 0.911 283 Q HN 0.430 nan 8.270 nan 0.000 0.438 284 L N 1.110 121.798 121.223 -0.892 0.000 1.988 284 L HA -0.118 4.223 4.340 0.003 0.000 0.207 284 L C 2.079 178.566 176.870 -0.638 0.000 1.071 284 L CA 1.537 55.724 54.840 -1.088 0.000 0.744 284 L CB -0.758 40.899 42.059 -0.670 0.000 0.893 284 L HN 0.164 nan 8.230 nan 0.000 0.433 285 L N -0.355 120.645 121.223 -0.372 0.000 2.137 285 L HA -0.231 4.111 4.340 0.003 0.000 0.213 285 L C 2.283 179.059 176.870 -0.156 0.000 1.085 285 L CA 1.377 56.101 54.840 -0.193 0.000 0.760 285 L CB -0.995 41.002 42.059 -0.102 0.000 0.893 285 L HN 0.435 nan 8.230 nan 0.000 0.434 286 A N -1.005 121.693 122.820 -0.202 0.000 2.308 286 A HA 0.328 4.650 4.320 0.003 0.000 0.217 286 A C 1.774 179.313 177.584 -0.075 0.000 1.216 286 A CA 0.788 52.762 52.037 -0.105 0.000 0.864 286 A CB -0.009 18.961 19.000 -0.050 0.000 0.902 286 A HN 0.417 nan 8.150 nan 0.000 0.499 287 G N -1.454 107.262 108.800 -0.140 0.000 3.581 287 G HA2 0.450 4.411 3.960 0.003 0.000 0.248 287 G HA3 0.450 4.411 3.960 0.003 0.000 0.248 287 G C 0.450 175.508 174.900 0.264 0.000 1.037 287 G CA 0.641 45.843 45.100 0.171 0.000 0.902 287 G HN 0.637 nan 8.290 nan 0.000 0.512 288 A N 1.424 124.267 122.820 0.039 0.000 2.462 288 A HA 0.560 4.882 4.320 0.003 0.000 0.243 288 A C 1.155 178.782 177.584 0.071 0.000 1.076 288 A CA 0.589 52.690 52.037 0.106 0.000 0.773 288 A CB -0.052 18.920 19.000 -0.047 0.000 1.010 288 A HN 0.787 nan 8.150 nan 0.000 0.493 289 T N -0.525 114.073 114.554 0.073 0.000 2.734 289 T HA 0.361 4.713 4.350 0.003 0.000 0.314 289 T C 1.349 176.065 174.700 0.027 0.000 1.057 289 T CA 0.104 62.231 62.100 0.045 0.000 1.047 289 T CB 0.662 69.556 68.868 0.042 0.000 0.991 289 T HN 1.312 nan 8.240 nan 0.000 0.540 290 A N 0.907 123.738 122.820 0.019 0.000 2.019 290 A HA -0.028 4.294 4.320 0.003 0.000 0.219 290 A C 2.097 179.684 177.584 0.005 0.000 1.164 290 A CA 1.553 53.595 52.037 0.008 0.000 0.644 290 A CB -0.899 18.104 19.000 0.004 0.000 0.805 290 A HN 0.954 nan 8.150 nan 0.000 0.449 291 E N 0.227 120.437 120.200 0.015 0.000 2.208 291 E HA -0.115 4.237 4.350 0.003 0.000 0.193 291 E C 1.728 178.345 176.600 0.030 0.000 0.988 291 E CA 1.292 57.704 56.400 0.020 0.000 0.828 291 E CB -0.208 29.509 29.700 0.027 0.000 0.763 291 E HN 0.758 nan 8.360 nan 0.000 0.478 292 E N 0.906 121.127 120.200 0.035 0.000 2.112 292 E HA -0.072 4.280 4.350 0.003 0.000 0.190 292 E C 1.703 178.321 176.600 0.029 0.000 0.979 292 E CA 0.718 57.145 56.400 0.046 0.000 0.814 292 E CB 0.104 29.833 29.700 0.048 0.000 0.762 292 E HN 0.175 nan 8.360 nan 0.000 0.460 293 K N 1.137 121.541 120.400 0.006 0.000 2.002 293 K HA -0.190 4.131 4.320 0.003 0.000 0.209 293 K C 2.265 178.831 176.600 -0.057 0.000 1.048 293 K CA 1.533 57.814 56.287 -0.010 0.000 0.930 293 K CB -0.223 32.269 32.500 -0.014 0.000 0.714 293 K HN 0.013 nan 8.250 nan 0.000 0.438 294 K N 1.319 121.672 120.400 -0.079 0.000 2.097 294 K HA -0.062 4.259 4.320 0.003 0.000 0.206 294 K C 2.184 178.676 176.600 -0.180 0.000 1.049 294 K CA 1.388 57.569 56.287 -0.177 0.000 0.933 294 K CB -0.194 32.245 32.500 -0.101 0.000 0.717 294 K HN 0.081 nan 8.250 nan 0.000 0.442 295 A N 1.142 123.962 122.820 -0.000 0.000 2.070 295 A HA -0.005 4.316 4.320 0.003 0.000 0.220 295 A C 1.791 179.529 177.584 0.258 0.000 1.159 295 A CA 1.053 53.163 52.037 0.122 0.000 0.656 295 A CB -0.252 18.811 19.000 0.106 0.000 0.800 295 A HN 0.369 nan 8.150 nan 0.000 0.453 296 L N -2.721 118.625 121.223 0.205 0.000 2.959 296 L HA 0.272 4.613 4.340 0.003 0.000 0.259 296 L C 0.103 177.271 176.870 0.497 0.000 1.185 296 L CA -0.292 54.757 54.840 0.348 0.000 0.998 296 L CB -0.155 42.005 42.059 0.170 0.000 1.337 296 L HN 0.482 nan 8.230 nan 0.000 0.555 297 H N -1.160 118.017 119.070 0.178 0.000 2.862 297 H HA -0.142 4.416 4.556 0.003 0.000 0.290 297 H C 0.052 175.584 175.328 0.339 0.000 1.211 297 H CA 0.281 56.449 56.048 0.200 0.000 1.140 297 H CB -1.908 27.926 29.762 0.119 0.000 1.341 297 H HN 0.184 nan 8.280 nan 0.000 0.392 298 L N -0.418 120.918 121.223 0.188 0.000 2.417 298 L HA 0.572 4.914 4.340 0.003 0.000 0.268 298 L C 1.092 178.094 176.870 0.220 0.000 1.158 298 L CA 0.543 55.522 54.840 0.232 0.000 0.819 298 L CB 1.068 43.177 42.059 0.083 0.000 1.112 298 L HN 0.468 nan 8.230 nan 0.000 0.458 299 A N 1.520 124.564 122.820 0.374 0.000 2.594 299 A HA 0.722 5.044 4.320 0.003 0.000 0.307 299 A C -0.370 177.399 177.584 0.308 0.000 1.203 299 A CA -0.037 52.128 52.037 0.213 0.000 0.644 299 A CB 0.523 19.497 19.000 -0.043 0.000 1.349 299 A HN 0.681 nan 8.150 nan 0.000 0.510 300 G N -0.100 108.779 108.800 0.132 0.000 2.432 300 G HA2 0.477 4.438 3.960 0.003 0.000 0.257 300 G HA3 0.477 4.438 3.960 0.003 0.000 0.257 300 G C -1.413 173.642 174.900 0.258 0.000 1.238 300 G CA -0.802 44.381 45.100 0.140 0.000 0.838 300 G HN 0.344 nan 8.290 nan 0.000 0.547 301 P HA -0.229 nan 4.420 nan 0.000 0.218 301 P C 1.639 179.035 177.300 0.160 0.000 1.154 301 P CA 1.598 64.838 63.100 0.233 0.000 0.872 301 P CB 0.217 31.989 31.700 0.119 0.000 0.790 302 E N 0.614 120.859 120.200 0.076 0.000 2.333 302 E HA -0.131 4.221 4.350 0.003 0.000 0.198 302 E C 1.417 177.990 176.600 -0.044 0.000 1.007 302 E CA 1.515 57.925 56.400 0.017 0.000 0.845 302 E CB -1.528 28.173 29.700 0.001 0.000 0.766 302 E HN 0.416 nan 8.360 nan 0.000 0.507 303 S N -0.635 114.994 115.700 -0.118 0.000 2.634 303 S HA 0.240 4.711 4.470 0.003 0.000 0.221 303 S C -0.152 174.148 174.600 -0.500 0.000 0.952 303 S CA -0.823 57.159 58.200 -0.364 0.000 0.930 303 S CB -0.695 62.163 63.200 -0.570 0.000 0.780 303 S HN 0.126 nan 8.310 nan 0.000 0.498 304 F N 1.844 121.749 119.950 -0.075 0.000 2.612 304 F HA 0.491 5.020 4.527 0.003 0.000 0.332 304 F C 1.016 176.732 175.800 -0.139 0.000 1.167 304 F CA -1.221 56.714 58.000 -0.108 0.000 0.970 304 F CB 1.390 40.319 39.000 -0.118 0.000 1.234 304 F HN -0.075 nan 8.300 nan 0.000 0.453 305 N N 2.145 120.830 118.700 -0.025 0.000 2.184 305 N HA -0.267 4.474 4.740 0.003 0.000 0.190 305 N C 1.185 176.678 175.510 -0.029 0.000 1.011 305 N CA 1.732 54.728 53.050 -0.089 0.000 0.867 305 N CB -0.141 38.239 38.487 -0.179 0.000 0.993 305 N HN 0.672 nan 8.380 nan 0.000 0.433 306 Y N 0.391 120.653 120.300 -0.064 0.000 2.578 306 Y HA 0.140 4.692 4.550 0.003 0.000 0.297 306 Y C 1.940 177.696 175.900 -0.240 0.000 1.176 306 Y CA -0.178 57.817 58.100 -0.175 0.000 1.315 306 Y CB 0.266 38.546 38.460 -0.300 0.000 1.031 306 Y HN 0.032 nan 8.280 nan 0.000 0.524 307 L N -0.863 120.349 121.223 -0.019 0.000 2.730 307 L HA 0.021 4.363 4.340 0.003 0.000 0.236 307 L C 1.288 178.169 176.870 0.018 0.000 1.061 307 L CA 0.177 54.966 54.840 -0.086 0.000 0.898 307 L CB 0.006 41.950 42.059 -0.192 0.000 1.270 307 L HN 0.188 nan 8.230 nan 0.000 0.500 308 N N -0.946 117.768 118.700 0.022 0.000 2.322 308 N HA -0.065 4.677 4.740 0.003 0.000 0.194 308 N C 1.274 176.781 175.510 -0.005 0.000 1.126 308 N CA 0.238 53.301 53.050 0.022 0.000 0.845 308 N CB 0.077 38.574 38.487 0.016 0.000 0.976 308 N HN 0.298 nan 8.380 nan 0.000 0.475 309 Q N 0.333 120.117 119.800 -0.027 0.000 2.165 309 Q HA 0.017 4.358 4.340 0.003 0.000 0.197 309 Q C 1.644 177.595 176.000 -0.081 0.000 0.952 309 Q CA 1.483 57.254 55.803 -0.054 0.000 0.848 309 Q CB -0.164 28.536 28.738 -0.063 0.000 0.931 309 Q HN 0.581 nan 8.270 nan 0.000 0.470 310 S N 0.125 115.760 115.700 -0.109 0.000 2.442 310 S HA -0.011 4.460 4.470 0.003 0.000 0.236 310 S C 1.504 176.063 174.600 -0.069 0.000 1.007 310 S CA 0.814 58.943 58.200 -0.120 0.000 0.965 310 S CB -0.422 62.698 63.200 -0.133 0.000 0.773 310 S HN 0.552 nan 8.310 nan 0.000 0.504 311 G N 0.284 109.060 108.800 -0.040 0.000 2.198 311 G HA2 -0.244 3.717 3.960 0.003 0.000 0.257 311 G HA3 -0.244 3.717 3.960 0.003 0.000 0.257 311 G C -0.075 174.809 174.900 -0.027 0.000 1.042 311 G CA -0.060 45.024 45.100 -0.026 0.000 0.791 311 G HN 1.258 nan 8.290 nan 0.000 0.502 312 C N 0.143 119.430 119.300 -0.021 0.000 2.599 312 C HA 0.679 5.140 4.460 0.003 0.000 0.354 312 C C 1.175 176.158 174.990 -0.011 0.000 1.092 312 C CA 0.208 59.204 59.018 -0.036 0.000 1.280 312 C CB 1.020 28.717 27.740 -0.072 0.000 1.829 312 C HN 1.490 nan 8.230 nan 0.000 0.454 313 V N 1.529 121.440 119.914 -0.006 0.000 3.398 313 V HA 0.450 4.571 4.120 0.003 0.000 0.298 313 V C -0.255 175.796 176.094 -0.071 0.000 1.496 313 V CA 0.803 63.142 62.300 0.066 0.000 1.044 313 V CB 0.132 32.054 31.823 0.165 0.000 0.880 313 V HN 0.882 nan 8.190 nan 0.000 0.443 314 D N -0.291 120.042 120.400 -0.111 0.000 2.661 314 D HA 0.603 5.245 4.640 0.003 0.000 0.228 314 D C -1.043 175.179 176.300 -0.129 0.000 1.210 314 D CA -0.552 53.375 54.000 -0.122 0.000 0.826 314 D CB 1.783 42.549 40.800 -0.057 0.000 1.542 314 D HN 0.142 nan 8.370 nan 0.000 0.447 315 I N 0.612 121.103 120.570 -0.131 0.000 2.377 315 I HA 0.247 4.419 4.170 0.003 0.000 0.293 315 I C 0.306 176.375 176.117 -0.079 0.000 0.987 315 I CA -1.074 60.160 61.300 -0.111 0.000 1.185 315 I CB 1.566 39.488 38.000 -0.130 0.000 1.341 315 I HN 0.389 nan 8.210 nan 0.000 0.455 316 K N 5.484 125.845 120.400 -0.065 0.000 2.447 316 K HA 0.320 4.641 4.320 0.003 0.000 0.281 316 K C 0.736 177.310 176.600 -0.044 0.000 1.031 316 K CA 0.352 56.610 56.287 -0.049 0.000 1.019 316 K CB 0.328 32.802 32.500 -0.044 0.000 0.918 316 K HN 0.903 nan 8.250 nan 0.000 0.476 317 G N 1.290 110.069 108.800 -0.035 0.000 2.198 317 G HA2 -0.206 3.756 3.960 0.003 0.000 0.257 317 G HA3 -0.206 3.756 3.960 0.003 0.000 0.257 317 G C -0.419 174.460 174.900 -0.035 0.000 1.042 317 G CA 0.066 45.150 45.100 -0.028 0.000 0.791 317 G HN 0.575 nan 8.290 nan 0.000 0.502 318 V N -0.455 119.431 119.914 -0.046 0.000 2.733 318 V HA 0.720 4.842 4.120 0.003 0.000 0.306 318 V C 0.116 176.179 176.094 -0.051 0.000 1.084 318 V CA -0.218 62.047 62.300 -0.058 0.000 0.905 318 V CB 2.056 33.821 31.823 -0.096 0.000 1.010 318 V HN 0.702 nan 8.190 nan 0.000 0.424 319 S N 2.571 118.250 115.700 -0.035 0.000 2.474 319 S HA 0.223 4.694 4.470 0.003 0.000 0.320 319 S C 0.837 175.430 174.600 -0.012 0.000 1.067 319 S CA -0.625 57.565 58.200 -0.017 0.000 1.127 319 S CB 0.371 63.570 63.200 -0.001 0.000 0.971 319 S HN 0.752 nan 8.310 nan 0.000 0.472 320 D N 3.537 123.927 120.400 -0.017 0.000 2.158 320 D HA -0.164 4.477 4.640 0.003 0.000 0.197 320 D C 1.895 178.208 176.300 0.022 0.000 0.995 320 D CA 1.307 55.303 54.000 -0.008 0.000 0.846 320 D CB 0.199 41.003 40.800 0.006 0.000 0.941 320 D HN 0.834 nan 8.370 nan 0.000 0.456 321 E N 1.546 121.763 120.200 0.028 0.000 2.031 321 E HA -0.193 4.159 4.350 0.003 0.000 0.193 321 E C 1.607 178.270 176.600 0.104 0.000 0.994 321 E CA 0.905 57.347 56.400 0.070 0.000 0.800 321 E CB -0.680 29.049 29.700 0.048 0.000 0.752 321 E HN 0.346 nan 8.360 nan 0.000 0.447 322 D N 1.058 121.495 120.400 0.061 0.000 2.117 322 D HA -0.140 4.502 4.640 0.003 0.000 0.197 322 D C 1.866 178.208 176.300 0.071 0.000 0.987 322 D CA 1.026 55.059 54.000 0.056 0.000 0.829 322 D CB 0.100 40.919 40.800 0.031 0.000 0.961 322 D HN 0.202 nan 8.370 nan 0.000 0.460 323 E N 0.481 120.721 120.200 0.068 0.000 2.118 323 E HA -0.180 4.172 4.350 0.003 0.000 0.195 323 E C 1.994 178.692 176.600 0.162 0.000 0.992 323 E CA 0.361 56.810 56.400 0.081 0.000 0.804 323 E CB -0.513 29.208 29.700 0.036 0.000 0.741 323 E HN 0.306 nan 8.360 nan 0.000 0.458 324 F N 2.257 122.203 119.950 -0.007 0.000 2.095 324 F HA -0.202 4.327 4.527 0.002 0.000 0.298 324 F C 2.034 177.843 175.800 0.015 0.000 1.104 324 F CA 1.483 59.477 58.000 -0.010 0.000 1.232 324 F CB -0.229 38.743 39.000 -0.046 0.000 0.987 324 F HN -0.089 nan 8.300 nan 0.000 0.475 325 K N 0.058 120.493 120.400 0.057 0.000 2.032 325 K HA -0.206 4.116 4.320 0.003 0.000 0.209 325 K C 2.205 178.791 176.600 -0.023 0.000 1.048 325 K CA 2.052 58.312 56.287 -0.044 0.000 0.927 325 K CB -0.488 32.012 32.500 0.000 0.000 0.712 325 K HN 0.308 nan 8.250 nan 0.000 0.441 326 I N 0.938 121.525 120.570 0.029 0.000 2.163 326 I HA -0.306 3.865 4.170 0.003 0.000 0.243 326 I C 2.263 178.406 176.117 0.042 0.000 1.085 326 I CA 1.430 62.752 61.300 0.036 0.000 1.347 326 I CB -0.343 37.689 38.000 0.054 0.000 1.044 326 I HN 0.218 nan 8.210 nan 0.000 0.408 327 T N 0.092 114.690 114.554 0.072 0.000 2.708 327 T HA -0.200 4.152 4.350 0.003 0.000 0.266 327 T C 2.062 176.785 174.700 0.038 0.000 1.037 327 T CA 1.146 63.305 62.100 0.098 0.000 1.146 327 T CB -0.254 68.730 68.868 0.194 0.000 0.865 327 T HN 0.245 nan 8.240 nan 0.000 0.435 328 R N 0.651 121.110 120.500 -0.068 0.000 2.103 328 R HA -0.151 4.191 4.340 0.003 0.000 0.242 328 R C 2.656 178.935 176.300 -0.035 0.000 1.142 328 R CA 1.642 57.673 56.100 -0.115 0.000 0.960 328 R CB -0.318 29.795 30.300 -0.312 0.000 0.858 328 R HN 0.496 nan 8.270 nan 0.000 0.439 329 Q N -0.575 119.210 119.800 -0.025 0.000 2.135 329 Q HA -0.137 4.205 4.340 0.003 0.000 0.204 329 Q C 1.831 177.846 176.000 0.025 0.000 0.981 329 Q CA 1.791 57.595 55.803 0.002 0.000 0.856 329 Q CB -0.012 28.729 28.738 0.005 0.000 0.902 329 Q HN 0.392 nan 8.270 nan 0.000 0.425 330 A N -0.292 122.550 122.820 0.037 0.000 2.067 330 A HA -0.070 4.251 4.320 0.003 0.000 0.217 330 A C 1.873 179.503 177.584 0.078 0.000 1.156 330 A CA 0.687 52.756 52.037 0.052 0.000 0.683 330 A CB -0.270 18.765 19.000 0.059 0.000 0.808 330 A HN 0.382 nan 8.150 nan 0.000 0.455 331 M N -0.505 119.133 119.600 0.063 0.000 2.229 331 M HA -0.114 4.367 4.480 0.003 0.000 0.264 331 M C 1.260 177.678 176.300 0.197 0.000 1.063 331 M CA 1.164 56.534 55.300 0.117 0.000 1.114 331 M CB -0.235 32.327 32.600 -0.064 0.000 1.387 331 M HN 0.363 nan 8.290 nan 0.000 0.420 332 D N 0.641 121.099 120.400 0.097 0.000 2.077 332 D HA -0.103 4.539 4.640 0.003 0.000 0.196 332 D C 1.918 178.251 176.300 0.056 0.000 0.986 332 D CA 1.412 55.456 54.000 0.073 0.000 0.829 332 D CB -0.264 40.558 40.800 0.037 0.000 0.983 332 D HN 0.319 nan 8.370 nan 0.000 0.453 333 I N 0.956 121.551 120.570 0.043 0.000 2.151 333 I HA -0.263 3.908 4.170 0.003 0.000 0.243 333 I C 2.541 178.668 176.117 0.018 0.000 1.080 333 I CA 0.796 62.109 61.300 0.023 0.000 1.339 333 I CB -0.148 37.864 38.000 0.020 0.000 1.039 333 I HN -0.119 nan 8.210 nan 0.000 0.409 334 V N 0.236 120.182 119.914 0.053 0.000 2.407 334 V HA -0.141 3.981 4.120 0.003 0.000 0.248 334 V C 1.626 177.686 176.094 -0.056 0.000 1.055 334 V CA 1.876 64.191 62.300 0.026 0.000 1.049 334 V CB -0.642 31.220 31.823 0.065 0.000 0.662 334 V HN 0.782 nan 8.190 nan 0.000 0.455 335 G N -1.696 107.088 108.800 -0.027 0.000 2.240 335 G HA2 -0.135 3.827 3.960 0.003 0.000 0.181 335 G HA3 -0.135 3.827 3.960 0.003 0.000 0.181 335 G C -0.187 174.578 174.900 -0.225 0.000 1.028 335 G CA -0.670 44.344 45.100 -0.143 0.000 0.760 335 G HN 0.276 nan 8.290 nan 0.000 0.508 336 F N 3.257 123.168 119.950 -0.065 0.000 2.471 336 F HA 0.509 5.038 4.527 0.003 0.000 0.365 336 F C 1.506 177.289 175.800 -0.028 0.000 1.095 336 F CA 0.340 58.310 58.000 -0.050 0.000 1.174 336 F CB 1.177 40.141 39.000 -0.059 0.000 1.105 336 F HN 0.230 nan 8.300 nan 0.000 0.535 337 S N 3.095 118.861 115.700 0.109 0.000 2.572 337 S HA -0.047 4.425 4.470 0.003 0.000 0.267 337 S C 1.178 175.835 174.600 0.097 0.000 1.361 337 S CA -0.581 57.666 58.200 0.078 0.000 1.009 337 S CB 0.858 64.091 63.200 0.055 0.000 0.888 337 S HN 0.698 nan 8.310 nan 0.000 0.553 338 Q N 0.973 120.812 119.800 0.067 0.000 2.167 338 Q HA -0.106 4.236 4.340 0.003 0.000 0.202 338 Q C 2.207 178.243 176.000 0.061 0.000 0.970 338 Q CA 1.698 57.540 55.803 0.065 0.000 0.855 338 Q CB -0.298 28.474 28.738 0.057 0.000 0.911 338 Q HN 0.893 nan 8.270 nan 0.000 0.438 339 E N 0.750 120.983 120.200 0.056 0.000 2.031 339 E HA -0.189 4.163 4.350 0.003 0.000 0.193 339 E C 1.806 178.425 176.600 0.031 0.000 0.994 339 E CA 0.798 57.226 56.400 0.047 0.000 0.800 339 E CB -0.381 29.345 29.700 0.043 0.000 0.752 339 E HN 0.443 nan 8.360 nan 0.000 0.447 340 E N 1.144 121.384 120.200 0.068 0.000 2.114 340 E HA -0.238 4.113 4.350 0.003 0.000 0.199 340 E C 2.320 178.902 176.600 -0.029 0.000 1.008 340 E CA 1.494 57.959 56.400 0.109 0.000 0.810 340 E CB -0.111 29.780 29.700 0.319 0.000 0.739 340 E HN 0.347 nan 8.360 nan 0.000 0.456 341 Q N -0.331 119.418 119.800 -0.086 0.000 2.061 341 Q HA -0.215 4.126 4.340 0.003 0.000 0.204 341 Q C 2.237 177.801 176.000 -0.726 0.000 0.984 341 Q CA 1.199 56.738 55.803 -0.441 0.000 0.846 341 Q CB -0.205 28.422 28.738 -0.186 0.000 0.902 341 Q HN 0.240 nan 8.270 nan 0.000 0.421 342 M N 0.798 120.303 119.600 -0.158 0.000 2.065 342 M HA -0.148 4.333 4.480 0.003 0.000 0.259 342 M C 2.133 178.448 176.300 0.026 0.000 1.069 342 M CA 1.726 57.082 55.300 0.092 0.000 1.110 342 M CB -0.729 31.945 32.600 0.123 0.000 1.328 342 M HN 0.018 nan 8.290 nan 0.000 0.405 343 S N 0.537 116.208 115.700 -0.048 0.000 2.374 343 S HA -0.174 4.298 4.470 0.003 0.000 0.227 343 S C 2.002 176.554 174.600 -0.080 0.000 1.037 343 S CA 1.748 59.919 58.200 -0.048 0.000 1.024 343 S CB -0.687 62.462 63.200 -0.085 0.000 0.861 343 S HN 0.552 nan 8.310 nan 0.000 0.456 344 I N 0.799 121.231 120.570 -0.231 0.000 2.151 344 I HA -0.240 3.932 4.170 0.003 0.000 0.243 344 I C 2.080 178.246 176.117 0.081 0.000 1.080 344 I CA 1.369 62.550 61.300 -0.200 0.000 1.339 344 I CB -0.471 37.270 38.000 -0.431 0.000 1.039 344 I HN 0.187 nan 8.210 nan 0.000 0.409 345 F N 1.130 121.134 119.950 0.090 0.000 2.102 345 F HA -0.204 4.325 4.527 0.002 0.000 0.298 345 F C 2.507 178.314 175.800 0.012 0.000 1.105 345 F CA 1.264 59.305 58.000 0.069 0.000 1.239 345 F CB -1.223 37.835 39.000 0.098 0.000 0.991 345 F HN -0.047 nan 8.300 nan 0.000 0.474 346 K N 0.365 120.905 120.400 0.233 0.000 2.044 346 K HA -0.189 4.132 4.320 0.003 0.000 0.210 346 K C 2.146 178.709 176.600 -0.063 0.000 1.049 346 K CA 1.656 57.982 56.287 0.064 0.000 0.927 346 K CB -0.484 32.036 32.500 0.034 0.000 0.713 346 K HN 0.181 nan 8.250 nan 0.000 0.443 347 I N 1.063 121.642 120.570 0.016 0.000 2.118 347 I HA -0.331 3.841 4.170 0.003 0.000 0.241 347 I C 2.116 178.305 176.117 0.119 0.000 1.070 347 I CA 1.054 62.397 61.300 0.072 0.000 1.327 347 I CB -0.385 37.724 38.000 0.182 0.000 1.034 347 I HN 0.185 nan 8.210 nan 0.000 0.405 348 I N 1.039 121.711 120.570 0.169 0.000 2.248 348 I HA -0.308 3.863 4.170 0.003 0.000 0.248 348 I C 2.817 178.994 176.117 0.100 0.000 1.107 348 I CA 1.854 63.259 61.300 0.175 0.000 1.373 348 I CB -1.582 36.472 38.000 0.090 0.000 1.055 348 I HN 0.230 nan 8.210 nan 0.000 0.418 349 A N 0.908 123.702 122.820 -0.044 0.000 1.855 349 A HA -0.053 4.268 4.320 0.003 0.000 0.215 349 A C 2.555 179.927 177.584 -0.353 0.000 1.191 349 A CA 1.728 53.618 52.037 -0.246 0.000 0.613 349 A CB -1.435 17.463 19.000 -0.171 0.000 0.829 349 A HN 0.397 nan 8.150 nan 0.000 0.442 350 G N 0.191 108.786 108.800 -0.342 0.000 2.505 350 G HA2 -0.289 3.672 3.960 0.003 0.000 0.220 350 G HA3 -0.289 3.672 3.960 0.003 0.000 0.220 350 G C 1.520 176.502 174.900 0.137 0.000 1.145 350 G CA 1.246 46.078 45.100 -0.446 0.000 0.761 350 G HN 0.468 nan 8.290 nan 0.000 0.571 351 I N 0.335 121.059 120.570 0.257 0.000 2.151 351 I HA -0.193 3.979 4.170 0.003 0.000 0.243 351 I C 2.818 179.119 176.117 0.305 0.000 1.080 351 I CA 0.986 62.528 61.300 0.403 0.000 1.339 351 I CB -0.319 37.935 38.000 0.423 0.000 1.039 351 I HN 0.185 nan 8.210 nan 0.000 0.409 352 L N -0.313 120.954 121.223 0.072 0.000 2.042 352 L HA -0.268 4.073 4.340 0.003 0.000 0.210 352 L C 2.775 179.680 176.870 0.058 0.000 1.076 352 L CA 1.316 56.101 54.840 -0.092 0.000 0.749 352 L CB -1.051 40.636 42.059 -0.621 0.000 0.893 352 L HN 0.362 nan 8.230 nan 0.000 0.432 353 H N 0.081 119.245 119.070 0.158 0.000 2.293 353 H HA -0.124 4.433 4.556 0.003 0.000 0.300 353 H C 2.422 177.822 175.328 0.119 0.000 1.082 353 H CA 1.308 57.458 56.048 0.170 0.000 1.308 353 H CB -0.585 29.267 29.762 0.150 0.000 1.375 353 H HN 0.268 nan 8.280 nan 0.000 0.495 354 L N -0.020 121.398 121.223 0.325 0.000 2.051 354 L HA -0.161 4.181 4.340 0.003 0.000 0.214 354 L C 2.643 179.557 176.870 0.072 0.000 1.076 354 L CA 1.367 56.362 54.840 0.259 0.000 0.758 354 L CB -0.887 41.401 42.059 0.382 0.000 0.890 354 L HN 0.337 nan 8.230 nan 0.000 0.433 355 G N -0.897 107.867 108.800 -0.059 0.000 2.559 355 G HA2 -0.206 3.756 3.960 0.003 0.000 0.216 355 G HA3 -0.206 3.756 3.960 0.003 0.000 0.216 355 G C 1.234 175.853 174.900 -0.469 0.000 1.126 355 G CA 0.454 45.099 45.100 -0.758 0.000 0.778 355 G HN 0.340 nan 8.290 nan 0.000 0.543 356 N N -0.100 118.494 118.700 -0.177 0.000 2.325 356 N HA 0.159 4.901 4.740 0.003 0.000 0.182 356 N C 0.709 176.123 175.510 -0.159 0.000 1.088 356 N CA -0.307 52.666 53.050 -0.129 0.000 0.879 356 N CB 0.281 38.767 38.487 -0.002 0.000 0.983 356 N HN 0.210 nan 8.380 nan 0.000 0.471 357 I N 1.611 122.067 120.570 -0.190 0.000 2.742 357 I HA -0.103 4.069 4.170 0.003 0.000 0.287 357 I C 0.786 176.620 176.117 -0.471 0.000 1.186 357 I CA 0.586 61.704 61.300 -0.304 0.000 1.417 357 I CB 0.212 38.000 38.000 -0.354 0.000 1.377 357 I HN -0.113 nan 8.210 nan 0.000 0.556 358 K N 8.228 128.413 120.400 -0.359 0.000 2.265 358 K HA 0.417 4.739 4.320 0.003 0.000 0.267 358 K C -1.211 175.264 176.600 -0.209 0.000 0.994 358 K CA -0.555 55.566 56.287 -0.278 0.000 0.860 358 K CB 0.985 33.412 32.500 -0.122 0.000 1.099 358 K HN 0.315 nan 8.250 nan 0.000 0.448 359 F N 3.756 123.721 119.950 0.025 0.000 2.334 359 F HA 0.221 4.750 4.527 0.003 0.000 0.367 359 F C 0.598 176.417 175.800 0.032 0.000 1.115 359 F CA -0.865 57.155 58.000 0.033 0.000 1.116 359 F CB 1.119 40.145 39.000 0.043 0.000 1.230 359 F HN 0.421 nan 8.300 nan 0.000 0.484 360 E N 1.764 122.092 120.200 0.213 0.000 2.267 360 E HA 0.752 5.104 4.350 0.003 0.000 0.258 360 E C 0.404 177.076 176.600 0.120 0.000 1.074 360 E CA -0.687 55.791 56.400 0.131 0.000 0.915 360 E CB 0.855 30.604 29.700 0.082 0.000 1.186 360 E HN 0.526 nan 8.360 nan 0.000 0.439 361 K N -0.123 120.324 120.400 0.078 0.000 3.690 361 K HA 0.724 5.045 4.320 0.003 0.000 0.291 361 K C 1.251 177.873 176.600 0.037 0.000 0.984 361 K CA 0.268 56.587 56.287 0.054 0.000 1.581 361 K CB -1.009 31.513 32.500 0.037 0.000 3.336 361 K HN 0.842 nan 8.250 nan 0.000 0.998 362 G N -0.511 108.301 108.800 0.019 0.000 5.155 362 G HA2 -0.116 3.845 3.960 0.003 0.000 0.239 362 G HA3 -0.116 3.845 3.960 0.003 0.000 0.239 362 G C 1.909 176.808 174.900 -0.002 0.000 1.409 362 G CA 2.549 47.656 45.100 0.010 0.000 0.927 362 G HN 1.909 nan 8.290 nan 0.000 0.710 363 A N -0.006 122.815 122.820 0.003 0.000 1.916 363 A HA 0.179 4.501 4.320 0.003 0.000 0.224 363 A C 2.647 180.211 177.584 -0.034 0.000 1.366 363 A CA 4.018 56.051 52.037 -0.007 0.000 0.692 363 A CB -1.009 17.997 19.000 0.009 0.000 0.841 363 A HN 2.360 nan 8.150 nan 0.000 0.480 364 G N -4.504 104.257 108.800 -0.065 0.000 3.009 364 G HA2 0.468 4.430 3.960 0.003 0.000 0.193 364 G HA3 0.468 4.430 3.960 0.003 0.000 0.193 364 G C 0.827 175.680 174.900 -0.079 0.000 1.636 364 G CA 1.313 46.361 45.100 -0.086 0.000 0.832 364 G HN 0.750 nan 8.290 nan 0.000 0.795 365 E N -0.143 119.987 120.200 -0.118 0.000 2.453 365 E HA 0.470 4.822 4.350 0.003 0.000 0.211 365 E C 1.360 177.890 176.600 -0.115 0.000 0.897 365 E CA 0.621 56.969 56.400 -0.087 0.000 1.063 365 E CB -0.166 29.493 29.700 -0.069 0.000 1.080 365 E HN 0.924 nan 8.360 nan 0.000 0.512 366 G N 0.283 108.918 108.800 -0.275 0.000 2.771 366 G HA2 0.436 4.398 3.960 0.003 0.000 0.242 366 G HA3 0.436 4.398 3.960 0.003 0.000 0.242 366 G C 0.491 175.405 174.900 0.022 0.000 1.233 366 G CA 0.302 45.154 45.100 -0.414 0.000 0.858 366 G HN 1.012 nan 8.290 nan 0.000 0.591 367 A N -0.840 122.169 122.820 0.315 0.000 2.294 367 A HA 0.827 5.149 4.320 0.003 0.000 0.330 367 A C 0.038 177.736 177.584 0.190 0.000 1.133 367 A CA -0.084 52.038 52.037 0.140 0.000 0.836 367 A CB 1.495 20.440 19.000 -0.092 0.000 1.190 367 A HN 1.834 nan 8.150 nan 0.000 0.492 368 V N -1.586 118.421 119.914 0.155 0.000 3.182 368 V HA 0.700 4.822 4.120 0.003 0.000 0.308 368 V C -1.103 175.100 176.094 0.182 0.000 1.240 368 V CA -0.828 61.560 62.300 0.147 0.000 1.063 368 V CB 1.734 33.630 31.823 0.121 0.000 1.076 368 V HN 0.644 nan 8.190 nan 0.000 0.446 369 L N 1.458 122.763 121.223 0.137 0.000 2.581 369 L HA 0.550 4.892 4.340 0.003 0.000 0.241 369 L C 1.169 178.083 176.870 0.072 0.000 1.265 369 L CA -0.104 54.812 54.840 0.126 0.000 0.954 369 L CB 0.187 42.322 42.059 0.127 0.000 1.269 369 L HN 0.863 nan 8.230 nan 0.000 0.475 370 K N 0.415 120.853 120.400 0.063 0.000 2.001 370 K HA -0.151 4.171 4.320 0.003 0.000 0.214 370 K C 0.484 177.098 176.600 0.023 0.000 1.050 370 K CA 1.447 57.757 56.287 0.038 0.000 0.934 370 K CB -0.018 32.502 32.500 0.033 0.000 0.718 370 K HN 0.508 nan 8.250 nan 0.000 0.443 371 D N -0.451 119.958 120.400 0.015 0.000 2.255 371 D HA 0.136 4.778 4.640 0.003 0.000 0.249 371 D C -0.197 176.101 176.300 -0.003 0.000 1.078 371 D CA 0.271 54.270 54.000 -0.003 0.000 0.896 371 D CB 1.041 41.829 40.800 -0.019 0.000 1.194 371 D HN 0.008 nan 8.370 nan 0.000 0.429 372 K N 1.547 121.941 120.400 -0.009 0.000 2.447 372 K HA 0.115 4.437 4.320 0.003 0.000 0.205 372 K C 1.151 177.737 176.600 -0.024 0.000 1.059 372 K CA -0.128 56.155 56.287 -0.007 0.000 1.065 372 K CB 0.667 33.167 32.500 0.000 0.000 0.885 372 K HN 0.394 nan 8.250 nan 0.000 0.545 373 T N 1.190 115.723 114.554 -0.036 0.000 2.474 373 T HA -0.232 4.119 4.350 0.003 0.000 0.254 373 T C 1.939 176.594 174.700 -0.076 0.000 1.191 373 T CA 1.903 63.970 62.100 -0.055 0.000 1.231 373 T CB -0.347 68.488 68.868 -0.056 0.000 0.865 373 T HN 0.322 nan 8.240 nan 0.000 0.398 374 A N 0.964 123.741 122.820 -0.072 0.000 1.958 374 A HA -0.138 4.184 4.320 0.003 0.000 0.221 374 A C 2.342 179.918 177.584 -0.013 0.000 1.178 374 A CA 1.958 53.958 52.037 -0.061 0.000 0.642 374 A CB -1.148 17.851 19.000 -0.000 0.000 0.816 374 A HN 0.499 nan 8.150 nan 0.000 0.453 375 L N 0.006 121.229 121.223 -0.000 0.000 2.043 375 L HA -0.260 4.082 4.340 0.003 0.000 0.212 375 L C 2.248 179.131 176.870 0.021 0.000 1.075 375 L CA 2.134 56.997 54.840 0.038 0.000 0.752 375 L CB -0.421 41.661 42.059 0.040 0.000 0.891 375 L HN 0.423 nan 8.230 nan 0.000 0.432 376 N N 0.100 118.783 118.700 -0.029 0.000 2.039 376 N HA -0.186 4.555 4.740 0.003 0.000 0.193 376 N C 1.866 177.319 175.510 -0.095 0.000 1.044 376 N CA 1.611 54.627 53.050 -0.056 0.000 0.847 376 N CB -0.598 37.844 38.487 -0.074 0.000 1.030 376 N HN 0.499 nan 8.380 nan 0.000 0.422 377 A N 1.543 124.250 122.820 -0.188 0.000 1.869 377 A HA -0.166 4.156 4.320 0.003 0.000 0.218 377 A C 2.450 179.982 177.584 -0.086 0.000 1.203 377 A CA 2.726 54.564 52.037 -0.331 0.000 0.638 377 A CB -1.166 17.391 19.000 -0.739 0.000 0.831 377 A HN 0.381 nan 8.150 nan 0.000 0.450 378 A N -0.819 122.052 122.820 0.085 0.000 1.908 378 A HA -0.092 4.229 4.320 0.003 0.000 0.218 378 A C 2.448 180.230 177.584 0.331 0.000 1.181 378 A CA 2.246 54.457 52.037 0.289 0.000 0.627 378 A CB -1.024 18.268 19.000 0.487 0.000 0.818 378 A HN 0.520 nan 8.150 nan 0.000 0.445 379 S N -0.018 115.815 115.700 0.222 0.000 2.359 379 S HA -0.195 4.277 4.470 0.003 0.000 0.223 379 S C 2.079 176.744 174.600 0.109 0.000 1.039 379 S CA 2.012 60.306 58.200 0.156 0.000 1.042 379 S CB -0.917 62.305 63.200 0.038 0.000 0.915 379 S HN 0.764 nan 8.310 nan 0.000 0.439 380 T N 2.851 117.418 114.554 0.023 0.000 2.555 380 T HA -0.183 4.168 4.350 0.003 0.000 0.264 380 T C 2.127 176.833 174.700 0.009 0.000 1.083 380 T CA 1.888 63.975 62.100 -0.020 0.000 1.179 380 T CB -1.261 67.535 68.868 -0.120 0.000 0.863 380 T HN 0.442 nan 8.240 nan 0.000 0.412 381 V N 0.038 119.935 119.914 -0.028 0.000 2.380 381 V HA -0.203 3.918 4.120 0.003 0.000 0.251 381 V C 2.144 178.202 176.094 -0.060 0.000 1.063 381 V CA 1.794 64.051 62.300 -0.073 0.000 1.055 381 V CB -1.318 30.439 31.823 -0.109 0.000 0.657 381 V HN 0.520 nan 8.190 nan 0.000 0.455 382 F N 1.877 121.891 119.950 0.106 0.000 2.367 382 F HA 0.388 4.916 4.527 0.002 0.000 0.298 382 F C 1.994 177.811 175.800 0.028 0.000 1.094 382 F CA 0.853 58.922 58.000 0.115 0.000 1.409 382 F CB -0.302 38.784 39.000 0.143 0.000 1.064 382 F HN 0.476 nan 8.300 nan 0.000 0.528 383 G N 1.327 110.229 108.800 0.169 0.000 2.291 383 G HA2 -0.116 3.845 3.960 0.003 0.000 0.271 383 G HA3 -0.116 3.845 3.960 0.003 0.000 0.271 383 G C -0.439 174.451 174.900 -0.016 0.000 1.099 383 G CA 0.058 45.196 45.100 0.063 0.000 0.919 383 G HN 0.535 nan 8.290 nan 0.000 0.496 384 V N -3.542 116.333 119.914 -0.065 0.000 3.130 384 V HA 0.817 4.938 4.120 0.003 0.000 0.310 384 V C 0.129 176.139 176.094 -0.140 0.000 1.158 384 V CA -1.716 60.474 62.300 -0.184 0.000 1.029 384 V CB 2.023 33.575 31.823 -0.452 0.000 1.057 384 V HN 0.242 nan 8.190 nan 0.000 0.436 385 N N 3.353 121.963 118.700 -0.150 0.000 2.421 385 N HA 0.352 5.094 4.740 0.003 0.000 0.260 385 N C -1.319 174.132 175.510 -0.099 0.000 1.173 385 N CA -1.892 51.096 53.050 -0.104 0.000 0.960 385 N CB 0.892 39.325 38.487 -0.090 0.000 1.273 385 N HN 0.559 nan 8.380 nan 0.000 0.497 386 P HA -0.259 nan 4.420 nan 0.000 0.220 386 P C 0.875 178.156 177.300 -0.033 0.000 1.155 386 P CA 1.633 64.709 63.100 -0.039 0.000 0.880 386 P CB 0.048 31.735 31.700 -0.022 0.000 0.790 387 S N -0.574 115.105 115.700 -0.036 0.000 2.355 387 S HA -0.102 4.370 4.470 0.003 0.000 0.222 387 S C 2.182 176.759 174.600 -0.039 0.000 1.031 387 S CA 1.296 59.479 58.200 -0.029 0.000 0.993 387 S CB -1.781 61.403 63.200 -0.027 0.000 0.859 387 S HN -0.025 nan 8.310 nan 0.000 0.453 388 V N 2.361 122.241 119.914 -0.057 0.000 2.252 388 V HA -0.187 3.935 4.120 0.003 0.000 0.249 388 V C 2.450 178.502 176.094 -0.071 0.000 1.056 388 V CA 2.065 64.322 62.300 -0.071 0.000 1.022 388 V CB -0.864 30.899 31.823 -0.101 0.000 0.641 388 V HN 0.466 nan 8.190 nan 0.000 0.445 389 L N -0.013 121.159 121.223 -0.086 0.000 2.056 389 L HA -0.139 4.203 4.340 0.003 0.000 0.207 389 L C 2.364 179.239 176.870 0.009 0.000 1.078 389 L CA 2.163 56.966 54.840 -0.061 0.000 0.749 389 L CB -0.827 41.174 42.059 -0.097 0.000 0.901 389 L HN 0.417 nan 8.230 nan 0.000 0.433 390 E N -0.369 119.837 120.200 0.010 0.000 2.033 390 E HA -0.271 4.080 4.350 0.003 0.000 0.199 390 E C 2.046 178.646 176.600 0.001 0.000 1.011 390 E CA 1.601 58.023 56.400 0.036 0.000 0.815 390 E CB 0.032 29.743 29.700 0.019 0.000 0.755 390 E HN 0.433 nan 8.360 nan 0.000 0.451 391 K N 0.023 120.406 120.400 -0.030 0.000 2.009 391 K HA -0.166 4.156 4.320 0.003 0.000 0.210 391 K C 2.151 178.719 176.600 -0.053 0.000 1.049 391 K CA 1.183 57.435 56.287 -0.058 0.000 0.929 391 K CB -0.639 31.830 32.500 -0.052 0.000 0.714 391 K HN 0.184 nan 8.250 nan 0.000 0.440 392 A N 1.445 124.248 122.820 -0.027 0.000 2.032 392 A HA -0.148 4.174 4.320 0.003 0.000 0.221 392 A C 2.307 179.893 177.584 0.003 0.000 1.165 392 A CA 1.327 53.359 52.037 -0.009 0.000 0.645 392 A CB -0.563 18.441 19.000 0.007 0.000 0.807 392 A HN 0.189 nan 8.150 nan 0.000 0.453 393 L N -1.681 119.550 121.223 0.013 0.000 2.049 393 L HA -0.081 4.260 4.340 0.003 0.000 0.203 393 L C 2.710 179.518 176.870 -0.104 0.000 1.074 393 L CA 1.578 56.430 54.840 0.020 0.000 0.749 393 L CB -0.352 41.790 42.059 0.139 0.000 0.907 393 L HN 0.464 nan 8.230 nan 0.000 0.439 394 M N -1.582 117.925 119.600 -0.156 0.000 2.514 394 M HA 0.111 4.593 4.480 0.003 0.000 0.258 394 M C 0.164 176.311 176.300 -0.255 0.000 1.159 394 M CA 0.615 55.758 55.300 -0.262 0.000 1.116 394 M CB 0.340 32.732 32.600 -0.347 0.000 1.333 394 M HN 0.049 nan 8.290 nan 0.000 0.487 395 E N 2.654 122.728 120.200 -0.210 0.000 2.947 395 E HA 0.264 4.615 4.350 0.003 0.000 0.229 395 E C -2.464 174.089 176.600 -0.080 0.000 1.158 395 E CA -1.800 54.498 56.400 -0.170 0.000 1.441 395 E CB -0.043 29.540 29.700 -0.195 0.000 1.414 395 E HN 0.185 nan 8.360 nan 0.000 0.432 396 P HA -0.028 nan 4.420 nan 0.000 0.264 396 P C -0.184 177.106 177.300 -0.016 0.000 1.193 396 P CA 0.187 63.272 63.100 -0.026 0.000 0.763 396 P CB 0.667 32.359 31.700 -0.014 0.000 0.810 397 R N 2.578 123.071 120.500 -0.011 0.000 2.490 397 R HA 0.475 4.817 4.340 0.003 0.000 0.280 397 R C -0.028 176.272 176.300 0.001 0.000 1.077 397 R CA -0.393 55.705 56.100 -0.005 0.000 1.065 397 R CB 0.217 30.514 30.300 -0.005 0.000 1.003 397 R HN 0.435 nan 8.270 nan 0.000 0.470 398 I N 2.547 123.119 120.570 0.003 0.000 2.582 398 I HA 0.127 4.299 4.170 0.003 0.000 0.292 398 I C -0.910 175.210 176.117 0.005 0.000 1.066 398 I CA -0.795 60.508 61.300 0.005 0.000 1.053 398 I CB 1.796 39.800 38.000 0.007 0.000 1.241 398 I HN 0.301 nan 8.210 nan 0.000 0.421 399 L N 5.799 127.024 121.223 0.004 0.000 2.500 399 L HA 0.315 4.657 4.340 0.003 0.000 0.272 399 L C 0.851 177.722 176.870 0.002 0.000 1.149 399 L CA 0.290 55.131 54.840 0.002 0.000 0.897 399 L CB 0.247 42.306 42.059 -0.000 0.000 1.178 399 L HN 0.795 nan 8.230 nan 0.000 0.473 400 A N 3.748 126.570 122.820 0.003 0.000 2.833 400 A HA 0.564 4.885 4.320 0.003 0.000 0.293 400 A C 1.336 178.921 177.584 0.002 0.000 1.338 400 A CA 0.372 52.411 52.037 0.004 0.000 0.959 400 A CB -0.596 18.408 19.000 0.006 0.000 1.094 400 A HN 1.174 nan 8.150 nan 0.000 0.569 401 G N 0.639 109.439 108.800 -0.000 0.000 5.353 401 G HA2 -0.344 3.617 3.960 0.003 0.000 0.283 401 G HA3 -0.344 3.617 3.960 0.003 0.000 0.283 401 G C 1.465 176.365 174.900 -0.001 0.000 1.457 401 G CA 0.452 45.551 45.100 -0.002 0.000 0.951 401 G HN 0.443 nan 8.290 nan 0.000 0.731 402 R N 1.335 121.835 120.500 0.000 0.000 2.080 402 R HA 0.101 4.442 4.340 0.003 0.000 0.222 402 R C -0.186 176.114 176.300 0.001 0.000 1.107 402 R CA 1.078 57.179 56.100 0.001 0.000 0.980 402 R CB -0.288 30.012 30.300 0.001 0.000 0.879 402 R HN 0.456 nan 8.270 nan 0.000 0.439 403 D N 1.582 121.983 120.400 0.002 0.000 2.339 403 D HA 0.106 4.748 4.640 0.003 0.000 0.241 403 D C -0.561 175.740 176.300 0.002 0.000 1.183 403 D CA -0.025 53.977 54.000 0.002 0.000 0.859 403 D CB 0.978 41.780 40.800 0.004 0.000 1.067 403 D HN -0.041 nan 8.370 nan 0.000 0.484 404 L N 3.757 124.981 121.223 0.002 0.000 2.295 404 L HA 0.270 4.611 4.340 0.003 0.000 0.288 404 L C -1.152 175.720 176.870 0.003 0.000 1.079 404 L CA -0.263 54.578 54.840 0.002 0.000 0.830 404 L CB 0.207 42.266 42.059 0.001 0.000 1.200 404 L HN 0.084 nan 8.230 nan 0.000 0.438 405 V N 4.542 124.458 119.914 0.004 0.000 2.487 405 V HA 0.556 4.677 4.120 0.003 0.000 0.298 405 V C 0.460 176.558 176.094 0.006 0.000 1.028 405 V CA -0.842 61.461 62.300 0.006 0.000 0.860 405 V CB 1.406 33.234 31.823 0.008 0.000 0.991 405 V HN 0.826 nan 8.190 nan 0.000 0.427 406 A N 5.003 127.826 122.820 0.005 0.000 2.484 406 A HA 0.359 4.681 4.320 0.003 0.000 0.268 406 A C 0.426 178.019 177.584 0.016 0.000 1.114 406 A CA -0.146 51.893 52.037 0.002 0.000 0.780 406 A CB -0.062 18.933 19.000 -0.009 0.000 1.061 406 A HN 0.788 nan 8.150 nan 0.000 0.505 407 Q N 2.157 121.966 119.800 0.015 0.000 2.267 407 Q HA 0.149 4.490 4.340 0.003 0.000 0.255 407 Q C -0.529 175.504 176.000 0.055 0.000 0.923 407 Q CA -0.292 55.533 55.803 0.036 0.000 0.925 407 Q CB 1.403 30.156 28.738 0.025 0.000 1.195 407 Q HN 0.770 nan 8.270 nan 0.000 0.417 408 H N 3.585 122.639 119.070 -0.026 0.000 2.552 408 H HA 0.367 4.925 4.556 0.003 0.000 0.311 408 H C -0.976 174.322 175.328 -0.050 0.000 1.071 408 H CA -0.482 55.543 56.048 -0.037 0.000 1.307 408 H CB 0.275 30.020 29.762 -0.029 0.000 1.416 408 H HN 0.487 nan 8.280 nan 0.000 0.464 409 L N 4.488 125.857 121.223 0.243 0.000 2.343 409 L HA 0.205 4.546 4.340 0.003 0.000 0.275 409 L C 1.030 177.957 176.870 0.096 0.000 1.056 409 L CA -1.128 53.772 54.840 0.099 0.000 0.804 409 L CB 0.940 42.976 42.059 -0.037 0.000 1.203 409 L HN 0.705 nan 8.230 nan 0.000 0.440 410 N N 1.307 120.019 118.700 0.021 0.000 2.240 410 N HA -0.031 4.710 4.740 0.003 0.000 0.250 410 N C 0.578 176.061 175.510 -0.044 0.000 1.316 410 N CA -0.329 52.718 53.050 -0.004 0.000 0.894 410 N CB 0.188 38.673 38.487 -0.003 0.000 1.101 410 N HN 0.304 nan 8.380 nan 0.000 0.491 411 V N -0.542 119.366 119.914 -0.010 0.000 2.535 411 V HA -0.116 4.005 4.120 0.003 0.000 0.246 411 V C 2.421 178.547 176.094 0.053 0.000 1.045 411 V CA 1.867 64.174 62.300 0.012 0.000 1.058 411 V CB -1.156 30.730 31.823 0.104 0.000 0.689 411 V HN 0.858 nan 8.190 nan 0.000 0.461 412 E N 0.829 121.059 120.200 0.051 0.000 2.028 412 E HA -0.242 4.110 4.350 0.003 0.000 0.190 412 E C 2.130 178.763 176.600 0.054 0.000 0.984 412 E CA 1.311 57.754 56.400 0.071 0.000 0.800 412 E CB -0.236 29.498 29.700 0.056 0.000 0.758 412 E HN 0.512 nan 8.360 nan 0.000 0.448 413 K N 0.472 120.881 120.400 0.016 0.000 2.097 413 K HA -0.060 4.261 4.320 0.003 0.000 0.206 413 K C 2.458 179.037 176.600 -0.035 0.000 1.049 413 K CA 1.334 57.624 56.287 0.004 0.000 0.933 413 K CB -0.062 32.437 32.500 -0.002 0.000 0.717 413 K HN 0.051 nan 8.250 nan 0.000 0.442 414 S N 0.761 116.375 115.700 -0.143 0.000 2.355 414 S HA -0.148 4.324 4.470 0.003 0.000 0.222 414 S C 2.155 176.701 174.600 -0.090 0.000 1.031 414 S CA 1.631 59.607 58.200 -0.373 0.000 0.993 414 S CB -0.235 62.362 63.200 -1.004 0.000 0.859 414 S HN 0.493 nan 8.310 nan 0.000 0.453 415 S N 1.572 117.376 115.700 0.173 0.000 2.365 415 S HA -0.134 4.338 4.470 0.003 0.000 0.225 415 S C 1.996 176.772 174.600 0.294 0.000 1.039 415 S CA 1.800 60.297 58.200 0.494 0.000 1.033 415 S CB -0.783 62.646 63.200 0.381 0.000 0.887 415 S HN 0.355 nan 8.310 nan 0.000 0.447 416 S N 1.203 117.006 115.700 0.172 0.000 2.359 416 S HA -0.109 4.363 4.470 0.003 0.000 0.224 416 S C 2.194 176.870 174.600 0.127 0.000 1.035 416 S CA 1.356 59.634 58.200 0.130 0.000 1.018 416 S CB -0.916 62.336 63.200 0.086 0.000 0.876 416 S HN 0.684 nan 8.310 nan 0.000 0.448 417 S N 1.149 116.914 115.700 0.108 0.000 2.359 417 S HA -0.179 4.292 4.470 0.003 0.000 0.223 417 S C 2.148 176.835 174.600 0.145 0.000 1.039 417 S CA 1.224 59.484 58.200 0.099 0.000 1.042 417 S CB -0.390 62.847 63.200 0.063 0.000 0.915 417 S HN 0.392 nan 8.310 nan 0.000 0.439 418 R N 1.090 121.722 120.500 0.220 0.000 2.103 418 R HA -0.155 4.187 4.340 0.003 0.000 0.242 418 R C 1.425 177.859 176.300 0.223 0.000 1.142 418 R CA 2.301 58.556 56.100 0.258 0.000 0.960 418 R CB -1.226 29.289 30.300 0.359 0.000 0.858 418 R HN 0.379 nan 8.270 nan 0.000 0.439 419 D N 0.184 120.714 120.400 0.216 0.000 2.117 419 D HA -0.087 4.555 4.640 0.003 0.000 0.197 419 D C 1.802 178.173 176.300 0.118 0.000 0.987 419 D CA 1.774 55.887 54.000 0.187 0.000 0.829 419 D CB -0.353 40.550 40.800 0.172 0.000 0.961 419 D HN 0.375 nan 8.370 nan 0.000 0.460 420 A N 0.613 123.495 122.820 0.104 0.000 1.902 420 A HA -0.148 4.173 4.320 0.003 0.000 0.217 420 A C 2.104 179.727 177.584 0.065 0.000 1.181 420 A CA 1.042 53.124 52.037 0.075 0.000 0.623 420 A CB -0.737 18.304 19.000 0.069 0.000 0.818 420 A HN 0.252 nan 8.150 nan 0.000 0.443 421 L N -0.143 121.124 121.223 0.073 0.000 2.012 421 L HA -0.128 4.213 4.340 0.003 0.000 0.210 421 L C 2.414 179.297 176.870 0.021 0.000 1.073 421 L CA 1.999 56.854 54.840 0.025 0.000 0.748 421 L CB -0.742 41.344 42.059 0.044 0.000 0.891 421 L HN 0.153 nan 8.230 nan 0.000 0.431 422 V N -0.024 119.943 119.914 0.088 0.000 2.295 422 V HA -0.316 3.806 4.120 0.003 0.000 0.246 422 V C 2.587 178.739 176.094 0.096 0.000 1.049 422 V CA 2.214 64.587 62.300 0.120 0.000 1.024 422 V CB -0.547 31.366 31.823 0.149 0.000 0.648 422 V HN 0.526 nan 8.190 nan 0.000 0.447 423 K N 0.262 120.700 120.400 0.062 0.000 2.147 423 K HA -0.113 4.208 4.320 0.003 0.000 0.205 423 K C 2.232 178.882 176.600 0.083 0.000 1.049 423 K CA 1.416 57.746 56.287 0.072 0.000 0.936 423 K CB -0.394 32.136 32.500 0.050 0.000 0.722 423 K HN 0.486 nan 8.250 nan 0.000 0.446 424 A N 1.944 124.788 122.820 0.040 0.000 1.873 424 A HA -0.117 4.205 4.320 0.003 0.000 0.215 424 A C 2.204 179.755 177.584 -0.054 0.000 1.186 424 A CA 1.090 53.117 52.037 -0.018 0.000 0.616 424 A CB -0.718 18.262 19.000 -0.033 0.000 0.823 424 A HN 0.138 nan 8.150 nan 0.000 0.442 425 L N -2.219 118.995 121.223 -0.015 0.000 1.978 425 L HA -0.284 4.057 4.340 0.003 0.000 0.218 425 L C 2.617 179.539 176.870 0.086 0.000 1.075 425 L CA 2.347 57.197 54.840 0.016 0.000 0.767 425 L CB -0.682 41.437 42.059 0.100 0.000 0.890 425 L HN 0.596 nan 8.230 nan 0.000 0.434 426 Y N 0.202 120.527 120.300 0.040 0.000 2.145 426 Y HA -0.193 4.358 4.550 0.002 0.000 0.286 426 Y C 2.375 178.287 175.900 0.020 0.000 1.145 426 Y CA 1.638 59.773 58.100 0.059 0.000 1.148 426 Y CB -0.428 38.070 38.460 0.064 0.000 0.981 426 Y HN 0.130 nan 8.280 nan 0.000 0.507 427 G N -0.339 108.519 108.800 0.097 0.000 2.422 427 G HA2 -0.199 3.762 3.960 0.003 0.000 0.218 427 G HA3 -0.199 3.762 3.960 0.003 0.000 0.218 427 G C 1.693 176.586 174.900 -0.011 0.000 1.140 427 G CA 0.636 45.752 45.100 0.026 0.000 0.775 427 G HN 0.310 nan 8.290 nan 0.000 0.545 428 R N -0.662 119.800 120.500 -0.064 0.000 2.062 428 R HA 0.077 4.418 4.340 0.003 0.000 0.226 428 R C 2.454 178.727 176.300 -0.045 0.000 1.125 428 R CA 0.947 56.992 56.100 -0.092 0.000 0.966 428 R CB -0.650 29.509 30.300 -0.235 0.000 0.861 428 R HN 0.364 nan 8.270 nan 0.000 0.433 429 L N 0.821 121.991 121.223 -0.088 0.000 2.043 429 L HA -0.203 4.139 4.340 0.003 0.000 0.212 429 L C 1.988 178.805 176.870 -0.088 0.000 1.075 429 L CA 1.694 56.484 54.840 -0.084 0.000 0.752 429 L CB -0.723 41.236 42.059 -0.166 0.000 0.891 429 L HN 0.065 nan 8.230 nan 0.000 0.432 430 F N -0.542 119.187 119.950 -0.367 0.000 2.069 430 F HA -0.262 4.266 4.527 0.003 0.000 0.298 430 F C 2.230 177.865 175.800 -0.276 0.000 1.113 430 F CA 1.964 59.715 58.000 -0.416 0.000 1.214 430 F CB -0.211 38.519 39.000 -0.450 0.000 0.978 430 F HN 0.051 nan 8.300 nan 0.000 0.474 431 L N -1.021 120.176 121.223 -0.043 0.000 1.997 431 L HA -0.307 4.035 4.340 0.003 0.000 0.216 431 L C 2.354 179.112 176.870 -0.187 0.000 1.074 431 L CA 2.118 56.890 54.840 -0.113 0.000 0.763 431 L CB -1.111 40.938 42.059 -0.017 0.000 0.890 431 L HN 0.485 nan 8.230 nan 0.000 0.434 432 W N 0.897 122.054 121.300 -0.238 0.000 2.304 432 W HA -0.279 4.383 4.660 0.003 0.000 0.315 432 W C 2.351 178.728 176.519 -0.236 0.000 1.233 432 W CA 1.952 59.171 57.345 -0.209 0.000 1.261 432 W CB -0.489 28.863 29.460 -0.179 0.000 1.150 432 W HN -0.006 nan 8.180 nan 0.000 0.494 433 L N -0.515 120.487 121.223 -0.368 0.000 1.971 433 L HA -0.338 4.003 4.340 0.003 0.000 0.215 433 L C 2.404 178.934 176.870 -0.567 0.000 1.072 433 L CA 1.985 56.502 54.840 -0.539 0.000 0.758 433 L CB -1.728 39.920 42.059 -0.684 0.000 0.889 433 L HN -0.136 nan 8.230 nan 0.000 0.433 434 V N -0.011 119.538 119.914 -0.607 0.000 2.282 434 V HA -0.381 3.740 4.120 0.003 0.000 0.249 434 V C 2.647 178.505 176.094 -0.394 0.000 1.057 434 V CA 2.220 64.231 62.300 -0.483 0.000 1.032 434 V CB -0.689 30.852 31.823 -0.471 0.000 0.645 434 V HN 0.480 nan 8.190 nan 0.000 0.447 435 K N 0.186 120.340 120.400 -0.410 0.000 2.009 435 K HA -0.313 4.009 4.320 0.003 0.000 0.210 435 K C 2.276 178.612 176.600 -0.439 0.000 1.049 435 K CA 2.260 58.328 56.287 -0.366 0.000 0.929 435 K CB -0.239 32.064 32.500 -0.329 0.000 0.714 435 K HN 0.275 nan 8.250 nan 0.000 0.440 436 K N 1.234 121.234 120.400 -0.667 0.000 2.015 436 K HA -0.166 4.156 4.320 0.003 0.000 0.220 436 K C 2.048 178.335 176.600 -0.521 0.000 1.055 436 K CA 2.067 57.913 56.287 -0.735 0.000 0.951 436 K CB -0.563 31.306 32.500 -1.051 0.000 0.725 436 K HN 0.269 nan 8.250 nan 0.000 0.449 437 I N 0.661 120.986 120.570 -0.409 0.000 2.118 437 I HA -0.379 3.792 4.170 0.003 0.000 0.241 437 I C 2.030 177.998 176.117 -0.249 0.000 1.070 437 I CA 1.521 62.654 61.300 -0.278 0.000 1.327 437 I CB -0.500 37.378 38.000 -0.202 0.000 1.034 437 I HN 0.318 nan 8.210 nan 0.000 0.405 438 N N 1.205 119.757 118.700 -0.247 0.000 2.094 438 N HA -0.219 4.523 4.740 0.003 0.000 0.191 438 N C 1.472 176.867 175.510 -0.193 0.000 1.023 438 N CA 1.615 54.544 53.050 -0.201 0.000 0.857 438 N CB -0.747 37.625 38.487 -0.191 0.000 1.013 438 N HN 0.470 nan 8.380 nan 0.000 0.426 439 N N -0.062 118.503 118.700 -0.226 0.000 2.061 439 N HA -0.133 4.608 4.740 0.003 0.000 0.193 439 N C 1.700 177.101 175.510 -0.183 0.000 1.030 439 N CA 1.071 54.001 53.050 -0.200 0.000 0.856 439 N CB 0.000 38.346 38.487 -0.236 0.000 1.023 439 N HN 0.005 nan 8.380 nan 0.000 0.424 440 V N 1.114 120.900 119.914 -0.213 0.000 2.307 440 V HA -0.175 3.946 4.120 0.003 0.000 0.245 440 V C 1.965 177.974 176.094 -0.141 0.000 1.045 440 V CA 1.567 63.758 62.300 -0.182 0.000 1.024 440 V CB -0.284 31.416 31.823 -0.206 0.000 0.651 440 V HN 0.217 nan 8.190 nan 0.000 0.449 441 L N -1.075 120.062 121.223 -0.142 0.000 2.253 441 L HA 0.143 4.485 4.340 0.003 0.000 0.205 441 L C 1.549 178.352 176.870 -0.111 0.000 1.078 441 L CA 0.355 55.125 54.840 -0.117 0.000 0.805 441 L CB -0.464 41.528 42.059 -0.111 0.000 0.963 441 L HN 0.344 nan 8.230 nan 0.000 0.459 442 C N 1.370 120.598 119.300 -0.119 0.000 2.642 442 C HA 0.322 4.784 4.460 0.003 0.000 0.420 442 C C 1.158 176.095 174.990 -0.090 0.000 1.349 442 C CA -0.746 58.207 59.018 -0.108 0.000 1.821 442 C CB -0.631 27.041 27.740 -0.114 0.000 2.637 442 C HN 0.468 nan 8.230 nan 0.000 0.605 443 S N 4.354 120.008 115.700 -0.078 0.000 2.433 443 S HA 0.337 4.808 4.470 0.003 0.000 0.310 443 S C 0.735 175.305 174.600 -0.050 0.000 1.097 443 S CA -0.488 57.678 58.200 -0.056 0.000 1.103 443 S CB 0.989 64.165 63.200 -0.040 0.000 0.992 443 S HN 0.864 nan 8.310 nan 0.000 0.469 444 E N 3.122 123.295 120.200 -0.045 0.000 2.077 444 E HA -0.106 4.246 4.350 0.003 0.000 0.193 444 E C 1.167 177.749 176.600 -0.030 0.000 0.989 444 E CA 1.144 57.520 56.400 -0.040 0.000 0.800 444 E CB -0.432 29.245 29.700 -0.037 0.000 0.746 444 E HN 0.795 nan 8.360 nan 0.000 0.452 445 R N 1.633 122.120 120.500 -0.022 0.000 2.369 445 R HA 0.661 5.002 4.340 0.003 0.000 0.310 445 R C -0.362 175.939 176.300 0.001 0.000 1.141 445 R CA 0.272 56.365 56.100 -0.012 0.000 1.116 445 R CB 0.351 30.646 30.300 -0.007 0.000 1.135 445 R HN 0.299 nan 8.270 nan 0.000 0.529 446 A N 0.540 123.363 122.820 0.005 0.000 2.380 446 A HA 0.817 5.139 4.320 0.003 0.000 0.315 446 A C 0.977 178.570 177.584 0.016 0.000 1.101 446 A CA 0.041 52.102 52.037 0.039 0.000 0.771 446 A CB 1.766 20.801 19.000 0.058 0.000 1.287 446 A HN 1.276 nan 8.150 nan 0.000 0.436 447 A N 0.391 123.226 122.820 0.025 0.000 2.014 447 A HA 0.591 4.913 4.320 0.003 0.000 0.210 447 A C 0.172 177.485 177.584 -0.451 0.000 1.188 447 A CA 0.887 52.798 52.037 -0.210 0.000 0.731 447 A CB 0.035 18.964 19.000 -0.118 0.000 0.858 447 A HN 0.822 nan 8.150 nan 0.000 0.464 448 Y N -2.279 118.153 120.300 0.220 0.000 2.670 448 Y HA 0.528 5.079 4.550 0.003 0.000 0.334 448 Y C -0.671 175.493 175.900 0.439 0.000 1.185 448 Y CA -1.337 56.904 58.100 0.236 0.000 1.053 448 Y CB 1.477 39.992 38.460 0.091 0.000 1.298 448 Y HN 0.328 nan 8.280 nan 0.000 0.459 449 F N -1.083 119.114 119.950 0.411 0.000 2.741 449 F HA 0.849 5.377 4.527 0.003 0.000 0.313 449 F C -2.225 173.787 175.800 0.353 0.000 1.153 449 F CA -1.580 56.642 58.000 0.369 0.000 0.931 449 F CB 1.279 40.384 39.000 0.175 0.000 1.335 449 F HN 0.256 nan 8.300 nan 0.000 0.460 450 I N 1.589 122.465 120.570 0.509 0.000 2.439 450 I HA 0.589 4.760 4.170 0.003 0.000 0.285 450 I C -0.204 176.138 176.117 0.375 0.000 1.021 450 I CA -0.849 60.651 61.300 0.333 0.000 1.091 450 I CB 1.885 40.135 38.000 0.417 0.000 1.242 450 I HN 0.982 nan 8.210 nan 0.000 0.439 451 G N 5.925 114.953 108.800 0.380 0.000 2.368 451 G HA2 0.601 4.562 3.960 0.003 0.000 0.320 451 G HA3 0.601 4.562 3.960 0.003 0.000 0.320 451 G C -0.859 174.043 174.900 0.004 0.000 1.158 451 G CA -0.329 44.825 45.100 0.090 0.000 0.912 451 G HN 0.312 nan 8.290 nan 0.000 0.456 452 V N 3.256 123.024 119.914 -0.243 0.000 2.417 452 V HA 0.404 4.525 4.120 0.003 0.000 0.291 452 V C -0.413 175.685 176.094 0.007 0.000 1.024 452 V CA -0.884 61.390 62.300 -0.044 0.000 0.861 452 V CB 1.435 33.247 31.823 -0.018 0.000 0.985 452 V HN 0.609 nan 8.190 nan 0.000 0.436 453 L N 4.336 125.708 121.223 0.247 0.000 2.280 453 L HA 0.621 4.963 4.340 0.003 0.000 0.287 453 L C -0.526 176.454 176.870 0.184 0.000 1.023 453 L CA 0.091 55.141 54.840 0.349 0.000 0.819 453 L CB 1.260 43.532 42.059 0.354 0.000 1.212 453 L HN 0.718 nan 8.230 nan 0.000 0.420 454 D N 6.175 126.667 120.400 0.154 0.000 2.460 454 D HA 0.439 5.081 4.640 0.003 0.000 0.232 454 D C -1.082 175.256 176.300 0.063 0.000 1.079 454 D CA 0.037 54.082 54.000 0.076 0.000 0.864 454 D CB 0.435 41.250 40.800 0.024 0.000 1.048 454 D HN 0.523 nan 8.370 nan 0.000 0.523 455 I N 1.663 122.264 120.570 0.052 0.000 2.827 455 I HA 0.207 4.378 4.170 0.003 0.000 0.298 455 I C -0.184 175.932 176.117 -0.000 0.000 1.235 455 I CA -0.736 60.583 61.300 0.030 0.000 1.021 455 I CB 2.121 40.148 38.000 0.045 0.000 1.259 455 I HN 0.361 nan 8.210 nan 0.000 0.427 456 S N 4.130 119.822 115.700 -0.015 0.000 2.579 456 S HA 0.441 4.912 4.470 0.003 0.000 0.275 456 S C 0.387 174.949 174.600 -0.063 0.000 1.345 456 S CA 0.223 58.411 58.200 -0.019 0.000 1.031 456 S CB 1.305 64.507 63.200 0.003 0.000 0.892 456 S HN 0.787 nan 8.310 nan 0.000 0.529 457 G N 1.066 109.837 108.800 -0.048 0.000 2.489 457 G HA2 0.438 4.399 3.960 0.003 0.000 0.271 457 G HA3 0.438 4.399 3.960 0.003 0.000 0.271 457 G C -0.508 174.306 174.900 -0.144 0.000 1.427 457 G CA -1.052 43.987 45.100 -0.102 0.000 1.057 457 G HN 0.658 nan 8.290 nan 0.000 0.532 458 F N 0.442 120.361 119.950 -0.051 0.000 2.623 458 F HA 0.092 4.621 4.527 0.003 0.000 0.386 458 F C 1.244 176.947 175.800 -0.161 0.000 1.068 458 F CA 0.924 58.857 58.000 -0.112 0.000 1.265 458 F CB 0.411 39.355 39.000 -0.093 0.000 1.026 458 F HN 0.220 nan 8.300 nan 0.000 0.568 459 E N 4.794 124.943 120.200 -0.084 0.000 2.114 459 E HA 0.404 4.756 4.350 0.003 0.000 0.266 459 E C -0.758 175.450 176.600 -0.654 0.000 0.896 459 E CA -0.358 55.796 56.400 -0.411 0.000 0.750 459 E CB 1.233 30.652 29.700 -0.468 0.000 1.121 459 E HN 0.386 nan 8.360 nan 0.000 0.413 460 I N 4.829 124.993 120.570 -0.676 0.000 2.466 460 I HA 0.303 4.475 4.170 0.003 0.000 0.279 460 I C -0.674 175.195 176.117 -0.413 0.000 1.033 460 I CA -0.467 60.521 61.300 -0.521 0.000 1.123 460 I CB 0.027 37.877 38.000 -0.250 0.000 1.237 460 I HN 0.318 nan 8.210 nan 0.000 0.460 461 F N 3.916 123.830 119.950 -0.060 0.000 2.456 461 F HA 0.500 5.028 4.527 0.002 0.000 0.364 461 F C 1.734 177.501 175.800 -0.054 0.000 1.092 461 F CA -1.201 56.774 58.000 -0.042 0.000 1.125 461 F CB 0.231 39.219 39.000 -0.021 0.000 1.543 461 F HN 0.197 nan 8.300 nan 0.000 0.504 462 K N -0.347 120.185 120.400 0.220 0.000 1.984 462 K HA 0.052 4.374 4.320 0.003 0.000 0.209 462 K C -0.260 176.386 176.600 0.077 0.000 1.046 462 K CA 1.201 57.546 56.287 0.096 0.000 0.934 462 K CB -0.184 32.361 32.500 0.075 0.000 0.717 462 K HN 0.158 nan 8.250 nan 0.000 0.438 463 V N 3.096 123.089 119.914 0.131 0.000 2.328 463 V HA 0.156 4.277 4.120 0.003 0.000 0.278 463 V C -0.732 175.462 176.094 0.166 0.000 1.021 463 V CA -0.859 61.513 62.300 0.119 0.000 0.838 463 V CB 1.115 33.011 31.823 0.121 0.000 0.999 463 V HN 0.217 nan 8.190 nan 0.000 0.447 464 N N 2.997 121.735 118.700 0.062 0.000 2.437 464 N HA 0.411 5.153 4.740 0.003 0.000 0.259 464 N C -0.169 175.507 175.510 0.278 0.000 0.983 464 N CA -0.024 53.049 53.050 0.038 0.000 0.937 464 N CB 2.085 40.365 38.487 -0.345 0.000 1.122 464 N HN 0.592 nan 8.380 nan 0.000 0.499 465 S N 0.699 116.609 115.700 0.350 0.000 2.718 465 S HA 0.313 4.785 4.470 0.003 0.000 0.292 465 S C 1.169 175.967 174.600 0.329 0.000 1.125 465 S CA -0.607 57.885 58.200 0.487 0.000 1.013 465 S CB 0.490 63.917 63.200 0.378 0.000 1.192 465 S HN 0.482 nan 8.310 nan 0.000 0.535 466 F N 1.993 121.701 119.950 -0.404 0.000 2.126 466 F HA -0.117 4.412 4.527 0.003 0.000 0.299 466 F C 1.856 177.384 175.800 -0.453 0.000 1.096 466 F CA 2.346 59.644 58.000 -1.170 0.000 1.255 466 F CB -0.688 37.452 39.000 -1.434 0.000 0.997 466 F HN 0.652 nan 8.300 nan 0.000 0.479 467 E N 0.203 120.225 120.200 -0.297 0.000 2.097 467 E HA -0.276 4.076 4.350 0.003 0.000 0.196 467 E C 2.059 178.514 176.600 -0.242 0.000 1.000 467 E CA 1.847 58.047 56.400 -0.333 0.000 0.804 467 E CB -0.440 29.207 29.700 -0.088 0.000 0.740 467 E HN 0.454 nan 8.360 nan 0.000 0.454 468 Q N -0.104 119.667 119.800 -0.048 0.000 2.224 468 Q HA -0.048 4.293 4.340 0.003 0.000 0.203 468 Q C 2.021 178.078 176.000 0.096 0.000 0.970 468 Q CA 0.602 56.414 55.803 0.015 0.000 0.865 468 Q CB -0.152 28.609 28.738 0.039 0.000 0.922 468 Q HN 0.266 nan 8.270 nan 0.000 0.445 469 L N -0.746 120.533 121.223 0.092 0.000 2.093 469 L HA -0.169 4.173 4.340 0.003 0.000 0.208 469 L C 1.747 178.603 176.870 -0.025 0.000 1.085 469 L CA 1.462 56.334 54.840 0.055 0.000 0.755 469 L CB -0.414 41.510 42.059 -0.226 0.000 0.904 469 L HN 0.256 nan 8.230 nan 0.000 0.435 470 C N -0.504 118.645 119.300 -0.253 0.000 2.442 470 C HA -0.154 4.308 4.460 0.003 0.000 0.279 470 C C 2.652 177.606 174.990 -0.059 0.000 1.237 470 C CA 0.580 59.470 59.018 -0.213 0.000 1.722 470 C CB -0.914 26.405 27.740 -0.701 0.000 2.056 470 C HN 0.542 nan 8.230 nan 0.000 0.469 471 I N 1.928 122.407 120.570 -0.151 0.000 2.194 471 I HA -0.187 3.985 4.170 0.003 0.000 0.246 471 I C 1.995 178.036 176.117 -0.126 0.000 1.093 471 I CA 1.877 63.103 61.300 -0.124 0.000 1.355 471 I CB -1.303 36.623 38.000 -0.122 0.000 1.046 471 I HN 0.453 nan 8.210 nan 0.000 0.413 472 N N -0.137 118.541 118.700 -0.037 0.000 2.270 472 N HA -0.195 4.546 4.740 0.003 0.000 0.181 472 N C 1.768 177.370 175.510 0.152 0.000 1.016 472 N CA 0.684 53.711 53.050 -0.039 0.000 0.870 472 N CB -0.620 37.821 38.487 -0.078 0.000 0.979 472 N HN 0.334 nan 8.380 nan 0.000 0.431 473 Y N 2.423 122.788 120.300 0.108 0.000 2.030 473 Y HA -0.256 4.295 4.550 0.002 0.000 0.274 473 Y C 2.168 178.092 175.900 0.040 0.000 1.153 473 Y CA 1.761 59.944 58.100 0.139 0.000 1.115 473 Y CB -1.073 37.450 38.460 0.106 0.000 0.969 473 Y HN -0.006 nan 8.280 nan 0.000 0.488 474 T N 1.706 116.173 114.554 -0.144 0.000 2.620 474 T HA -0.277 4.074 4.350 0.003 0.000 0.267 474 T C 1.779 176.308 174.700 -0.285 0.000 1.044 474 T CA 1.861 63.769 62.100 -0.320 0.000 1.161 474 T CB -0.491 68.268 68.868 -0.183 0.000 0.862 474 T HN 0.475 nan 8.240 nan 0.000 0.438 475 N N 0.630 119.115 118.700 -0.359 0.000 2.149 475 N HA -0.108 4.633 4.740 0.003 0.000 0.188 475 N C 1.928 177.245 175.510 -0.322 0.000 1.019 475 N CA 0.974 53.650 53.050 -0.623 0.000 0.857 475 N CB -0.130 37.475 38.487 -1.470 0.000 0.997 475 N HN 0.552 nan 8.380 nan 0.000 0.426 476 E N 1.282 121.489 120.200 0.011 0.000 2.072 476 E HA -0.123 4.228 4.350 0.003 0.000 0.191 476 E C 1.837 178.475 176.600 0.062 0.000 0.985 476 E CA 0.787 57.321 56.400 0.222 0.000 0.801 476 E CB -0.114 29.818 29.700 0.388 0.000 0.750 476 E HN 0.339 nan 8.360 nan 0.000 0.452 477 K N 0.740 121.122 120.400 -0.030 0.000 2.009 477 K HA -0.118 4.203 4.320 0.003 0.000 0.210 477 K C 2.364 178.938 176.600 -0.044 0.000 1.049 477 K CA 1.077 57.316 56.287 -0.081 0.000 0.929 477 K CB -0.194 32.175 32.500 -0.219 0.000 0.714 477 K HN 0.026 nan 8.250 nan 0.000 0.440 478 L N 0.510 121.689 121.223 -0.074 0.000 2.083 478 L HA -0.233 4.108 4.340 0.003 0.000 0.209 478 L C 2.677 179.646 176.870 0.164 0.000 1.083 478 L CA 1.135 56.000 54.840 0.041 0.000 0.752 478 L CB -0.466 41.586 42.059 -0.011 0.000 0.899 478 L HN 0.234 nan 8.230 nan 0.000 0.433 479 Q N 0.742 120.561 119.800 0.031 0.000 2.079 479 Q HA -0.269 4.073 4.340 0.003 0.000 0.200 479 Q C 2.183 178.191 176.000 0.013 0.000 0.974 479 Q CA 2.058 57.845 55.803 -0.027 0.000 0.840 479 Q CB -0.256 28.327 28.738 -0.259 0.000 0.898 479 Q HN 0.570 nan 8.270 nan 0.000 0.430 480 Q N -1.031 118.758 119.800 -0.019 0.000 2.124 480 Q HA -0.189 4.153 4.340 0.003 0.000 0.202 480 Q C 1.932 177.841 176.000 -0.152 0.000 0.977 480 Q CA 1.518 57.255 55.803 -0.109 0.000 0.850 480 Q CB -0.522 28.144 28.738 -0.120 0.000 0.901 480 Q HN 0.524 nan 8.270 nan 0.000 0.429 481 F N 0.437 120.311 119.950 -0.127 0.000 2.095 481 F HA -0.224 4.305 4.527 0.003 0.000 0.298 481 F C 1.815 177.656 175.800 0.069 0.000 1.104 481 F CA 1.593 59.577 58.000 -0.027 0.000 1.232 481 F CB -0.343 38.697 39.000 0.067 0.000 0.987 481 F HN 0.246 nan 8.300 nan 0.000 0.475 482 F N 1.738 121.654 119.950 -0.057 0.000 2.065 482 F HA -0.315 4.213 4.527 0.002 0.000 0.298 482 F C 2.195 177.857 175.800 -0.231 0.000 1.112 482 F CA 2.280 60.065 58.000 -0.357 0.000 1.212 482 F CB -0.829 37.904 39.000 -0.446 0.000 0.975 482 F HN -0.057 nan 8.300 nan 0.000 0.476 483 N N -0.224 118.416 118.700 -0.101 0.000 2.104 483 N HA -0.196 4.545 4.740 0.003 0.000 0.190 483 N C 1.776 177.250 175.510 -0.060 0.000 1.024 483 N CA 1.800 54.813 53.050 -0.062 0.000 0.853 483 N CB -0.793 37.717 38.487 0.038 0.000 1.008 483 N HN 0.567 nan 8.380 nan 0.000 0.424 484 H N -1.317 117.655 119.070 -0.163 0.000 2.293 484 H HA -0.134 4.423 4.556 0.002 0.000 0.300 484 H C 1.917 177.167 175.328 -0.130 0.000 1.082 484 H CA 1.430 57.383 56.048 -0.158 0.000 1.308 484 H CB -0.041 29.652 29.762 -0.116 0.000 1.375 484 H HN 0.334 nan 8.280 nan 0.000 0.495 485 H N 0.877 119.809 119.070 -0.229 0.000 2.289 485 H HA -0.203 4.354 4.556 0.002 0.000 0.296 485 H C 2.513 177.643 175.328 -0.331 0.000 1.091 485 H CA 2.173 58.022 56.048 -0.331 0.000 1.274 485 H CB -0.260 29.164 29.762 -0.563 0.000 1.364 485 H HN 0.321 nan 8.280 nan 0.000 0.490 486 M N -0.627 118.667 119.600 -0.511 0.000 2.267 486 M HA -0.164 4.318 4.480 0.003 0.000 0.263 486 M C 1.805 177.970 176.300 -0.226 0.000 1.063 486 M CA 1.836 56.832 55.300 -0.507 0.000 1.090 486 M CB -0.287 31.864 32.600 -0.748 0.000 1.392 486 M HN 0.400 nan 8.290 nan 0.000 0.422 487 F N 1.065 120.839 119.950 -0.294 0.000 2.206 487 F HA -0.070 4.459 4.527 0.002 0.000 0.298 487 F C 1.791 177.467 175.800 -0.206 0.000 1.090 487 F CA 1.524 59.408 58.000 -0.193 0.000 1.323 487 F CB -0.141 38.782 39.000 -0.128 0.000 1.028 487 F HN 0.068 nan 8.300 nan 0.000 0.492 488 K N 0.388 120.679 120.400 -0.182 0.000 1.984 488 K HA -0.095 4.226 4.320 0.003 0.000 0.209 488 K C 2.030 178.418 176.600 -0.353 0.000 1.046 488 K CA 1.571 57.657 56.287 -0.334 0.000 0.934 488 K CB -0.898 31.489 32.500 -0.187 0.000 0.717 488 K HN 0.138 nan 8.250 nan 0.000 0.438 489 V N 1.983 121.677 119.914 -0.366 0.000 2.370 489 V HA -0.280 3.842 4.120 0.003 0.000 0.252 489 V C 2.250 178.240 176.094 -0.173 0.000 1.068 489 V CA 1.987 64.121 62.300 -0.276 0.000 1.061 489 V CB -0.444 31.182 31.823 -0.329 0.000 0.656 489 V HN 0.322 nan 8.190 nan 0.000 0.455 490 E N -0.429 119.654 120.200 -0.195 0.000 2.107 490 E HA -0.186 4.166 4.350 0.003 0.000 0.191 490 E C 2.282 178.796 176.600 -0.143 0.000 0.982 490 E CA 1.153 57.488 56.400 -0.108 0.000 0.809 490 E CB -0.325 29.307 29.700 -0.114 0.000 0.756 490 E HN 0.688 nan 8.360 nan 0.000 0.459 491 Q N 0.517 120.115 119.800 -0.338 0.000 2.167 491 Q HA -0.189 4.153 4.340 0.003 0.000 0.202 491 Q C 1.645 177.551 176.000 -0.155 0.000 0.970 491 Q CA 1.278 56.878 55.803 -0.339 0.000 0.855 491 Q CB -0.027 28.360 28.738 -0.585 0.000 0.911 491 Q HN 0.348 nan 8.270 nan 0.000 0.438 492 E N 0.189 120.304 120.200 -0.142 0.000 2.085 492 E HA -0.227 4.124 4.350 0.003 0.000 0.194 492 E C 2.143 178.742 176.600 -0.000 0.000 0.994 492 E CA 1.625 57.980 56.400 -0.076 0.000 0.801 492 E CB -0.016 29.633 29.700 -0.084 0.000 0.743 492 E HN 0.654 nan 8.360 nan 0.000 0.453 493 E N 0.535 120.774 120.200 0.065 0.000 2.110 493 E HA -0.191 4.160 4.350 0.003 0.000 0.193 493 E C 1.569 178.248 176.600 0.132 0.000 0.988 493 E CA 1.297 57.774 56.400 0.130 0.000 0.804 493 E CB -1.070 28.737 29.700 0.178 0.000 0.745 493 E HN 0.467 nan 8.360 nan 0.000 0.458 494 Y N -0.254 120.020 120.300 -0.043 0.000 2.293 494 Y HA -0.077 4.474 4.550 0.002 0.000 0.291 494 Y C 2.240 178.047 175.900 -0.156 0.000 1.137 494 Y CA 0.715 58.746 58.100 -0.116 0.000 1.202 494 Y CB 0.200 38.598 38.460 -0.104 0.000 0.990 494 Y HN 0.202 nan 8.280 nan 0.000 0.537 495 L N 0.103 121.335 121.223 0.015 0.000 2.068 495 L HA -0.114 4.227 4.340 0.003 0.000 0.204 495 L C 2.010 178.840 176.870 -0.066 0.000 1.076 495 L CA 1.414 56.229 54.840 -0.042 0.000 0.753 495 L CB -1.185 40.849 42.059 -0.041 0.000 0.910 495 L HN 0.011 nan 8.230 nan 0.000 0.439 496 K N -0.147 120.225 120.400 -0.048 0.000 2.286 496 K HA -0.164 4.158 4.320 0.003 0.000 0.203 496 K C 1.363 177.917 176.600 -0.076 0.000 1.045 496 K CA 1.017 57.277 56.287 -0.046 0.000 0.935 496 K CB 0.092 32.580 32.500 -0.020 0.000 0.737 496 K HN 0.368 nan 8.250 nan 0.000 0.460 497 E N -0.146 119.965 120.200 -0.148 0.000 2.498 497 E HA -0.034 4.317 4.350 0.003 0.000 0.203 497 E C 0.239 176.667 176.600 -0.286 0.000 1.013 497 E CA -0.006 56.243 56.400 -0.251 0.000 0.927 497 E CB 0.774 30.225 29.700 -0.415 0.000 1.012 497 E HN 0.160 nan 8.360 nan 0.000 0.482 498 K N 1.014 121.284 120.400 -0.216 0.000 3.407 498 K HA -0.180 4.142 4.320 0.003 0.000 0.312 498 K C 0.016 176.482 176.600 -0.224 0.000 1.302 498 K CA 0.262 56.446 56.287 -0.171 0.000 0.931 498 K CB -1.581 30.848 32.500 -0.117 0.000 1.257 498 K HN 0.167 nan 8.250 nan 0.000 0.454 499 I N 0.806 121.152 120.570 -0.374 0.000 3.004 499 I HA 0.021 4.192 4.170 0.003 0.000 0.287 499 I C 1.468 177.467 176.117 -0.196 0.000 1.144 499 I CA 0.722 61.760 61.300 -0.437 0.000 1.353 499 I CB 0.238 37.695 38.000 -0.905 0.000 1.417 499 I HN 0.407 nan 8.210 nan 0.000 0.602 509 D N -0.145 120.304 120.400 0.081 0.000 2.183 509 D HA -0.032 4.610 4.640 0.003 0.000 0.203 509 D C 2.036 178.399 176.300 0.104 0.000 0.969 509 D CA 1.758 55.812 54.000 0.089 0.000 0.842 509 D CB 0.530 41.391 40.800 0.101 0.000 0.957 509 D HN 0.537 nan 8.370 nan 0.000 0.484 510 S N -0.189 115.578 115.700 0.112 0.000 2.399 510 S HA -0.189 4.282 4.470 0.003 0.000 0.231 510 S C 1.746 176.406 174.600 0.099 0.000 1.022 510 S CA 0.760 59.031 58.200 0.118 0.000 0.983 510 S CB -0.222 63.032 63.200 0.090 0.000 0.803 510 S HN 0.237 nan 8.310 nan 0.000 0.480 511 Q N 1.705 121.552 119.800 0.078 0.000 2.079 511 Q HA 0.112 4.453 4.340 0.003 0.000 0.200 511 Q C 2.147 178.186 176.000 0.065 0.000 0.974 511 Q CA 1.641 57.488 55.803 0.073 0.000 0.840 511 Q CB -0.772 28.005 28.738 0.066 0.000 0.898 511 Q HN 0.467 nan 8.270 nan 0.000 0.430 512 A N -0.695 122.160 122.820 0.058 0.000 1.883 512 A HA -0.220 4.102 4.320 0.003 0.000 0.217 512 A C 2.278 179.880 177.584 0.030 0.000 1.186 512 A CA 2.232 54.294 52.037 0.042 0.000 0.624 512 A CB -1.133 17.892 19.000 0.042 0.000 0.822 512 A HN 0.502 nan 8.150 nan 0.000 0.444 513 T N 0.234 114.816 114.554 0.046 0.000 2.737 513 T HA -0.102 4.250 4.350 0.003 0.000 0.265 513 T C 1.809 176.532 174.700 0.037 0.000 1.038 513 T CA 1.482 63.596 62.100 0.024 0.000 1.144 513 T CB -0.466 68.432 68.868 0.051 0.000 0.866 513 T HN 0.383 nan 8.240 nan 0.000 0.434 514 I N 1.778 122.408 120.570 0.100 0.000 2.113 514 I HA -0.272 3.900 4.170 0.003 0.000 0.242 514 I C 2.415 178.566 176.117 0.057 0.000 1.064 514 I CA 1.537 62.920 61.300 0.139 0.000 1.320 514 I CB -0.458 37.641 38.000 0.164 0.000 1.028 514 I HN 0.159 nan 8.210 nan 0.000 0.406 515 D N 0.443 120.865 120.400 0.037 0.000 2.106 515 D HA -0.218 4.424 4.640 0.003 0.000 0.191 515 D C 2.042 178.312 176.300 -0.051 0.000 0.997 515 D CA 1.275 55.280 54.000 0.008 0.000 0.834 515 D CB -0.602 40.211 40.800 0.021 0.000 0.956 515 D HN 0.185 nan 8.370 nan 0.000 0.448 516 L N 0.729 121.893 121.223 -0.097 0.000 2.189 516 L HA -0.150 4.192 4.340 0.003 0.000 0.214 516 L C 1.929 178.640 176.870 -0.266 0.000 1.097 516 L CA 1.321 56.014 54.840 -0.245 0.000 0.764 516 L CB -0.381 41.527 42.059 -0.251 0.000 0.900 516 L HN 0.066 nan 8.230 nan 0.000 0.436 517 I N -0.671 119.793 120.570 -0.177 0.000 2.499 517 I HA -0.073 4.099 4.170 0.003 0.000 0.243 517 I C 1.656 177.634 176.117 -0.231 0.000 1.085 517 I CA 1.103 62.273 61.300 -0.216 0.000 1.422 517 I CB -0.292 37.556 38.000 -0.253 0.000 1.165 517 I HN 0.302 nan 8.210 nan 0.000 0.440 518 D N 0.626 120.894 120.400 -0.220 0.000 2.407 518 D HA 0.056 4.697 4.640 0.003 0.000 0.208 518 D C 1.076 177.354 176.300 -0.036 0.000 1.083 518 D CA 0.023 53.931 54.000 -0.153 0.000 0.844 518 D CB -0.477 40.242 40.800 -0.135 0.000 0.967 518 D HN 0.102 nan 8.370 nan 0.000 0.506 519 G N 0.496 109.283 108.800 -0.022 0.000 2.562 519 G HA2 -0.002 3.960 3.960 0.003 0.000 0.233 519 G HA3 -0.002 3.960 3.960 0.003 0.000 0.233 519 G C 0.571 175.482 174.900 0.019 0.000 1.266 519 G CA -0.431 44.677 45.100 0.012 0.000 0.852 519 G HN 0.177 nan 8.290 nan 0.000 0.581 520 R N -0.518 119.999 120.500 0.028 0.000 2.164 520 R HA 0.125 4.466 4.340 0.003 0.000 0.198 520 R C 0.041 176.360 176.300 0.031 0.000 1.028 520 R CA 0.485 56.601 56.100 0.027 0.000 1.083 520 R CB 0.316 30.632 30.300 0.027 0.000 1.026 520 R HN 0.503 nan 8.270 nan 0.000 0.514 521 Q N 1.058 120.878 119.800 0.035 0.000 2.334 521 Q HA 0.308 4.650 4.340 0.003 0.000 0.249 521 Q C -2.458 173.567 176.000 0.042 0.000 0.909 521 Q CA -1.430 54.396 55.803 0.038 0.000 0.823 521 Q CB 2.359 31.115 28.738 0.031 0.000 1.353 521 Q HN 0.216 nan 8.270 nan 0.000 0.433 522 P HA 0.458 nan 4.420 nan 0.000 0.276 522 P C -2.662 174.683 177.300 0.076 0.000 1.261 522 P CA -1.502 61.639 63.100 0.068 0.000 0.800 522 P CB -0.156 31.598 31.700 0.091 0.000 1.066 523 P HA 0.243 nan 4.420 nan 0.000 0.280 523 P C 0.107 177.487 177.300 0.132 0.000 1.244 523 P CA 0.119 63.248 63.100 0.048 0.000 0.784 523 P CB 0.856 32.536 31.700 -0.033 0.000 0.913 524 G N 1.553 110.399 108.800 0.078 0.000 2.557 524 G HA2 0.354 4.316 3.960 0.003 0.000 0.302 524 G HA3 0.354 4.316 3.960 0.003 0.000 0.302 524 G C 1.081 176.006 174.900 0.042 0.000 1.311 524 G CA -0.934 44.189 45.100 0.039 0.000 1.030 524 G HN 0.348 nan 8.290 nan 0.000 0.509 525 I N -0.256 120.267 120.570 -0.078 0.000 2.087 525 I HA -0.271 3.901 4.170 0.003 0.000 0.240 525 I C 2.758 178.896 176.117 0.035 0.000 1.054 525 I CA 1.272 62.559 61.300 -0.021 0.000 1.311 525 I CB -0.435 37.536 38.000 -0.050 0.000 1.024 525 I HN 0.325 nan 8.210 nan 0.000 0.402 526 L N 0.558 121.789 121.223 0.014 0.000 2.013 526 L HA -0.283 4.058 4.340 0.003 0.000 0.212 526 L C 2.937 179.835 176.870 0.046 0.000 1.073 526 L CA 1.614 56.485 54.840 0.051 0.000 0.753 526 L CB -0.930 41.125 42.059 -0.007 0.000 0.890 526 L HN 0.336 nan 8.230 nan 0.000 0.432 527 A N 0.321 123.151 122.820 0.016 0.000 1.883 527 A HA -0.201 4.121 4.320 0.003 0.000 0.217 527 A C 2.239 179.818 177.584 -0.008 0.000 1.186 527 A CA 1.759 53.801 52.037 0.009 0.000 0.624 527 A CB -0.807 18.191 19.000 -0.002 0.000 0.822 527 A HN 0.382 nan 8.150 nan 0.000 0.444 528 L N -1.122 120.076 121.223 -0.042 0.000 2.046 528 L HA -0.157 4.184 4.340 0.003 0.000 0.208 528 L C 2.530 179.383 176.870 -0.029 0.000 1.077 528 L CA 1.035 55.818 54.840 -0.095 0.000 0.747 528 L CB -0.639 41.292 42.059 -0.214 0.000 0.896 528 L HN 0.457 nan 8.230 nan 0.000 0.432 529 L N 0.078 121.314 121.223 0.022 0.000 1.989 529 L HA -0.242 4.100 4.340 0.003 0.000 0.211 529 L C 2.104 179.010 176.870 0.061 0.000 1.071 529 L CA 1.963 56.844 54.840 0.069 0.000 0.749 529 L CB -0.841 41.305 42.059 0.145 0.000 0.890 529 L HN 0.194 nan 8.230 nan 0.000 0.431 530 D N -0.473 119.963 120.400 0.059 0.000 2.149 530 D HA -0.254 4.388 4.640 0.003 0.000 0.198 530 D C 2.080 178.423 176.300 0.073 0.000 0.990 530 D CA 1.500 55.536 54.000 0.059 0.000 0.839 530 D CB 0.020 40.854 40.800 0.057 0.000 0.948 530 D HN 0.663 nan 8.370 nan 0.000 0.460 531 E N 0.427 120.670 120.200 0.071 0.000 2.077 531 E HA -0.237 4.115 4.350 0.003 0.000 0.193 531 E C 1.854 178.586 176.600 0.219 0.000 0.989 531 E CA 1.072 57.543 56.400 0.117 0.000 0.800 531 E CB 0.013 29.753 29.700 0.066 0.000 0.746 531 E HN 0.015 nan 8.360 nan 0.000 0.452 532 Q N 0.045 119.932 119.800 0.145 0.000 2.436 532 Q HA 0.080 4.421 4.340 0.003 0.000 0.209 532 Q C 1.297 177.449 176.000 0.254 0.000 0.965 532 Q CA 0.910 56.821 55.803 0.180 0.000 0.910 532 Q CB 0.237 29.007 28.738 0.053 0.000 0.980 532 Q HN 0.140 nan 8.270 nan 0.000 0.491 533 S N -1.094 114.706 115.700 0.166 0.000 2.701 533 S HA 0.041 4.513 4.470 0.003 0.000 0.220 533 S C 0.972 175.609 174.600 0.062 0.000 0.954 533 S CA 0.146 58.408 58.200 0.103 0.000 0.936 533 S CB 0.353 63.583 63.200 0.050 0.000 0.777 533 S HN 0.150 nan 8.310 nan 0.000 0.518 534 V N -0.120 119.825 119.914 0.051 0.000 3.661 534 V HA 0.288 4.410 4.120 0.003 0.000 0.271 534 V C -0.125 175.673 176.094 -0.493 0.000 1.315 534 V CA 0.248 62.396 62.300 -0.253 0.000 1.072 534 V CB -0.324 31.248 31.823 -0.420 0.000 0.830 534 V HN 0.385 nan 8.190 nan 0.000 0.443 535 F N 1.805 121.757 119.950 0.003 0.000 2.391 535 F HA 0.411 4.939 4.527 0.003 0.000 0.359 535 F C -1.165 174.638 175.800 0.004 0.000 1.122 535 F CA -2.283 55.718 58.000 0.003 0.000 1.120 535 F CB 0.950 39.950 39.000 0.001 0.000 1.142 535 F HN -0.042 nan 8.300 nan 0.000 0.483 536 P HA -0.118 nan 4.420 nan 0.000 0.215 536 P C 0.722 178.076 177.300 0.090 0.000 1.157 536 P CA 1.379 64.523 63.100 0.074 0.000 0.859 536 P CB 0.313 32.036 31.700 0.038 0.000 0.786 537 N N -0.472 118.295 118.700 0.111 0.000 2.412 537 N HA 0.103 4.845 4.740 0.003 0.000 0.184 537 N C 0.800 176.354 175.510 0.074 0.000 1.101 537 N CA 0.095 53.194 53.050 0.081 0.000 0.881 537 N CB -0.231 38.298 38.487 0.071 0.000 0.969 537 N HN 0.082 nan 8.380 nan 0.000 0.459 538 A N 1.274 124.156 122.820 0.104 0.000 2.507 538 A HA 0.330 4.651 4.320 0.003 0.000 0.235 538 A C 0.839 178.449 177.584 0.044 0.000 1.070 538 A CA 0.219 52.290 52.037 0.057 0.000 0.768 538 A CB 0.064 19.107 19.000 0.073 0.000 1.011 538 A HN 0.307 nan 8.150 nan 0.000 0.502 539 T N -1.538 113.028 114.554 0.019 0.000 2.901 539 T HA 0.466 4.818 4.350 0.003 0.000 0.293 539 T C 0.175 174.879 174.700 0.006 0.000 1.084 539 T CA -0.419 61.692 62.100 0.018 0.000 1.008 539 T CB 1.303 70.178 68.868 0.012 0.000 1.170 539 T HN 0.472 nan 8.240 nan 0.000 0.509 540 D N 0.587 120.993 120.400 0.009 0.000 2.203 540 D HA -0.196 4.445 4.640 0.003 0.000 0.199 540 D C 1.679 177.961 176.300 -0.031 0.000 0.997 540 D CA 1.328 55.321 54.000 -0.012 0.000 0.863 540 D CB -0.187 40.609 40.800 -0.006 0.000 0.928 540 D HN 0.702 nan 8.370 nan 0.000 0.458 541 N N 0.166 118.857 118.700 -0.014 0.000 2.080 541 N HA -0.146 4.595 4.740 0.003 0.000 0.189 541 N C 1.687 177.180 175.510 -0.028 0.000 1.036 541 N CA 1.484 54.527 53.050 -0.012 0.000 0.846 541 N CB 0.036 38.525 38.487 0.002 0.000 1.015 541 N HN -0.048 nan 8.380 nan 0.000 0.423 542 T N 1.716 116.251 114.554 -0.032 0.000 2.649 542 T HA -0.204 4.148 4.350 0.003 0.000 0.268 542 T C 1.852 176.509 174.700 -0.072 0.000 1.036 542 T CA 1.592 63.660 62.100 -0.053 0.000 1.157 542 T CB -0.375 68.460 68.868 -0.054 0.000 0.861 542 T HN 0.220 nan 8.240 nan 0.000 0.445 543 L N 0.673 121.854 121.223 -0.069 0.000 2.005 543 L HA 0.165 4.507 4.340 0.003 0.000 0.207 543 L C 2.199 178.982 176.870 -0.145 0.000 1.072 543 L CA 1.555 56.341 54.840 -0.091 0.000 0.744 543 L CB -0.780 41.243 42.059 -0.060 0.000 0.895 543 L HN 0.329 nan 8.230 nan 0.000 0.433 544 I N -0.947 119.532 120.570 -0.152 0.000 2.567 544 I HA -0.275 3.896 4.170 0.003 0.000 0.257 544 I C 1.793 177.750 176.117 -0.266 0.000 1.184 544 I CA 1.432 62.585 61.300 -0.246 0.000 1.451 544 I CB -0.125 37.767 38.000 -0.180 0.000 1.089 544 I HN 0.391 nan 8.210 nan 0.000 0.441 545 T N 0.235 114.727 114.554 -0.105 0.000 2.857 545 T HA -0.191 4.161 4.350 0.003 0.000 0.266 545 T C 1.839 176.506 174.700 -0.055 0.000 1.048 545 T CA 1.265 63.354 62.100 -0.019 0.000 1.139 545 T CB -0.084 68.786 68.868 0.002 0.000 0.874 545 T HN 0.291 nan 8.240 nan 0.000 0.455 546 K N 0.802 121.146 120.400 -0.093 0.000 2.063 546 K HA -0.033 4.289 4.320 0.003 0.000 0.208 546 K C 2.113 178.640 176.600 -0.122 0.000 1.048 546 K CA 1.113 57.353 56.287 -0.077 0.000 0.928 546 K CB -0.311 32.124 32.500 -0.109 0.000 0.713 546 K HN 0.258 nan 8.250 nan 0.000 0.442 547 L N -0.024 121.053 121.223 -0.243 0.000 1.994 547 L HA -0.219 4.122 4.340 0.003 0.000 0.208 547 L C 2.539 179.210 176.870 -0.332 0.000 1.071 547 L CA 1.227 55.871 54.840 -0.328 0.000 0.745 547 L CB -0.729 41.121 42.059 -0.348 0.000 0.892 547 L HN 0.342 nan 8.230 nan 0.000 0.431 548 H N -1.211 117.818 119.070 -0.069 0.000 2.421 548 H HA -0.135 4.422 4.556 0.003 0.000 0.298 548 H C 2.598 177.841 175.328 -0.142 0.000 1.087 548 H CA 1.469 57.514 56.048 -0.005 0.000 1.330 548 H CB -0.292 29.528 29.762 0.097 0.000 1.388 548 H HN 0.272 nan 8.280 nan 0.000 0.526 549 S N -0.088 115.593 115.700 -0.032 0.000 2.365 549 S HA -0.187 4.285 4.470 0.003 0.000 0.225 549 S C 1.941 176.336 174.600 -0.341 0.000 1.039 549 S CA 1.203 59.318 58.200 -0.142 0.000 1.033 549 S CB -0.197 62.921 63.200 -0.137 0.000 0.887 549 S HN 0.593 nan 8.310 nan 0.000 0.447 550 H N -1.564 117.131 119.070 -0.625 0.000 2.403 550 H HA 0.031 4.588 4.556 0.002 0.000 0.298 550 H C 1.490 176.258 175.328 -0.934 0.000 1.059 550 H CA 1.531 57.028 56.048 -0.919 0.000 1.363 550 H CB -0.102 28.807 29.762 -1.421 0.000 1.410 550 H HN 0.558 nan 8.280 nan 0.000 0.528 551 F N -0.086 119.686 119.950 -0.297 0.000 2.694 551 F HA 0.145 4.673 4.527 0.003 0.000 0.292 551 F C 1.397 177.101 175.800 -0.159 0.000 1.121 551 F CA -0.330 57.421 58.000 -0.414 0.000 1.352 551 F CB 0.381 38.755 39.000 -1.044 0.000 1.107 551 F HN -0.196 nan 8.300 nan 0.000 0.597 552 S N 2.185 117.942 115.700 0.095 0.000 2.506 552 S HA 0.086 4.557 4.470 0.003 0.000 0.291 552 S C 0.807 175.490 174.600 0.138 0.000 1.230 552 S CA 0.068 58.435 58.200 0.277 0.000 1.107 552 S CB -0.267 63.086 63.200 0.254 0.000 0.942 552 S HN 0.358 nan 8.310 nan 0.000 0.502 553 K N 2.643 123.137 120.400 0.157 0.000 3.587 553 K HA -0.159 4.163 4.320 0.003 0.000 0.294 553 K C 0.637 177.279 176.600 0.071 0.000 1.279 553 K CA 1.869 58.209 56.287 0.087 0.000 1.004 553 K CB -1.457 31.070 32.500 0.043 0.000 1.276 553 K HN 0.660 nan 8.250 nan 0.000 0.459 554 K N 0.305 120.755 120.400 0.084 0.000 2.348 554 K HA 0.117 4.438 4.320 0.003 0.000 0.194 554 K C 0.603 177.267 176.600 0.107 0.000 1.052 554 K CA 0.071 56.396 56.287 0.064 0.000 1.004 554 K CB 0.315 32.821 32.500 0.010 0.000 0.873 554 K HN 0.090 nan 8.250 nan 0.000 0.523 555 N N -0.018 118.781 118.700 0.165 0.000 2.352 555 N HA 0.217 4.959 4.740 0.003 0.000 0.291 555 N C -0.502 175.106 175.510 0.164 0.000 1.040 555 N CA -0.083 53.067 53.050 0.167 0.000 0.864 555 N CB 1.987 40.596 38.487 0.203 0.000 1.440 555 N HN 0.007 nan 8.380 nan 0.000 0.483 556 A N 3.083 125.969 122.820 0.110 0.000 2.209 556 A HA 0.008 4.330 4.320 0.003 0.000 0.212 556 A C 1.314 178.949 177.584 0.084 0.000 1.158 556 A CA 0.934 53.026 52.037 0.091 0.000 0.742 556 A CB 0.030 19.067 19.000 0.061 0.000 0.790 556 A HN 0.520 nan 8.150 nan 0.000 0.472 557 K N -1.585 118.868 120.400 0.088 0.000 2.374 557 K HA 0.184 4.506 4.320 0.003 0.000 0.196 557 K C -0.463 176.209 176.600 0.120 0.000 1.023 557 K CA -0.004 56.320 56.287 0.061 0.000 1.103 557 K CB -0.243 32.266 32.500 0.015 0.000 0.848 557 K HN 0.588 nan 8.250 nan 0.000 0.528 558 Y N 1.094 121.412 120.300 0.029 0.000 2.457 558 Y HA 0.311 4.862 4.550 0.003 0.000 0.333 558 Y C -0.651 175.324 175.900 0.124 0.000 1.119 558 Y CA -0.899 57.256 58.100 0.091 0.000 1.143 558 Y CB 1.423 39.941 38.460 0.097 0.000 1.230 558 Y HN -0.038 nan 8.280 nan 0.000 0.469 559 E N 4.437 124.469 120.200 -0.280 0.000 2.287 559 E HA 0.161 4.513 4.350 0.003 0.000 0.274 559 E C -1.826 174.645 176.600 -0.214 0.000 0.896 559 E CA -0.663 55.656 56.400 -0.136 0.000 0.788 559 E CB 1.327 30.989 29.700 -0.063 0.000 1.244 559 E HN 0.768 nan 8.360 nan 0.000 0.408 560 E N 5.400 125.592 120.200 -0.013 0.000 2.167 560 E HA 0.290 4.641 4.350 0.003 0.000 0.284 560 E C -2.146 174.397 176.600 -0.095 0.000 1.016 560 E CA -2.179 54.206 56.400 -0.025 0.000 0.817 560 E CB 0.924 30.552 29.700 -0.120 0.000 1.080 560 E HN 0.315 nan 8.360 nan 0.000 0.397 561 P HA 0.001 nan 4.420 nan 0.000 0.270 561 P C -0.169 177.008 177.300 -0.205 0.000 1.223 561 P CA 0.045 63.084 63.100 -0.102 0.000 0.785 561 P CB 0.517 32.198 31.700 -0.032 0.000 0.923 562 R N 0.424 120.716 120.500 -0.346 0.000 2.240 562 R HA 0.130 4.471 4.340 0.003 0.000 0.203 562 R C 0.714 176.528 176.300 -0.810 0.000 1.011 562 R CA 1.312 57.034 56.100 -0.629 0.000 1.007 562 R CB -0.429 29.367 30.300 -0.841 0.000 0.911 562 R HN 0.409 nan 8.270 nan 0.000 0.468 563 F N -0.572 119.372 119.950 -0.010 0.000 2.570 563 F HA 0.248 4.776 4.527 0.002 0.000 0.290 563 F C 0.942 176.746 175.800 0.007 0.000 0.910 563 F CA -0.713 57.285 58.000 -0.004 0.000 1.119 563 F CB -0.113 38.886 39.000 -0.002 0.000 0.922 563 F HN -0.187 nan 8.300 nan 0.000 0.703 564 S N 1.639 117.425 115.700 0.143 0.000 2.549 564 S HA 0.106 4.577 4.470 0.003 0.000 0.286 564 S C 0.613 175.272 174.600 0.099 0.000 1.314 564 S CA -0.171 58.096 58.200 0.111 0.000 1.062 564 S CB 0.623 63.875 63.200 0.087 0.000 0.865 564 S HN 0.339 nan 8.310 nan 0.000 0.498 565 K N 2.265 122.727 120.400 0.104 0.000 2.373 565 K HA 0.122 4.444 4.320 0.003 0.000 0.202 565 K C 1.169 177.846 176.600 0.128 0.000 1.025 565 K CA 0.383 56.742 56.287 0.120 0.000 1.115 565 K CB 0.488 33.043 32.500 0.091 0.000 0.858 565 K HN 0.788 nan 8.250 nan 0.000 0.525 566 T N -2.632 111.985 114.554 0.105 0.000 2.975 566 T HA 0.184 4.535 4.350 0.003 0.000 0.257 566 T C 0.289 175.032 174.700 0.071 0.000 1.003 566 T CA -0.370 61.773 62.100 0.071 0.000 0.932 566 T CB 0.270 69.164 68.868 0.043 0.000 1.087 566 T HN -0.027 nan 8.240 nan 0.000 0.512 567 E N 1.031 121.296 120.200 0.109 0.000 2.320 567 E HA 0.687 5.039 4.350 0.003 0.000 0.264 567 E C -1.240 175.493 176.600 0.222 0.000 0.923 567 E CA -1.353 55.095 56.400 0.080 0.000 0.796 567 E CB 1.946 31.645 29.700 -0.003 0.000 1.262 567 E HN 0.453 nan 8.360 nan 0.000 0.428 568 F N -1.936 118.036 119.950 0.036 0.000 2.629 568 F HA 0.837 5.366 4.527 0.003 0.000 0.316 568 F C -0.337 175.439 175.800 -0.040 0.000 1.081 568 F CA -1.122 56.843 58.000 -0.058 0.000 0.954 568 F CB 1.480 40.377 39.000 -0.172 0.000 1.337 568 F HN 0.432 nan 8.300 nan 0.000 0.474 569 G N 0.927 109.658 108.800 -0.115 0.000 2.530 569 G HA2 0.602 4.563 3.960 0.003 0.000 0.316 569 G HA3 0.602 4.563 3.960 0.003 0.000 0.316 569 G C -2.027 172.879 174.900 0.010 0.000 1.298 569 G CA -1.002 44.043 45.100 -0.092 0.000 0.948 569 G HN 0.663 nan 8.290 nan 0.000 0.486 570 V N 1.300 121.300 119.914 0.145 0.000 2.513 570 V HA 0.436 4.558 4.120 0.003 0.000 0.299 570 V C 0.294 176.390 176.094 0.002 0.000 1.035 570 V CA -0.671 61.693 62.300 0.107 0.000 0.889 570 V CB 1.967 33.867 31.823 0.128 0.000 0.988 570 V HN 0.728 nan 8.190 nan 0.000 0.440 571 T N 4.875 119.394 114.554 -0.059 0.000 2.863 571 T HA 0.313 4.664 4.350 0.003 0.000 0.299 571 T C 0.036 174.684 174.700 -0.086 0.000 0.973 571 T CA -0.061 62.010 62.100 -0.048 0.000 0.994 571 T CB -0.657 68.198 68.868 -0.022 0.000 0.961 571 T HN 0.557 nan 8.240 nan 0.000 0.552 572 H N 1.294 120.362 119.070 -0.005 0.000 2.505 572 H HA 0.115 4.672 4.556 0.002 0.000 0.358 572 H C 0.910 176.174 175.328 -0.106 0.000 1.304 572 H CA -0.617 55.421 56.048 -0.017 0.000 1.393 572 H CB 0.776 30.484 29.762 -0.089 0.000 1.591 572 H HN 0.519 nan 8.280 nan 0.000 0.595 573 Y N 1.542 121.825 120.300 -0.028 0.000 2.053 573 Y HA -0.275 4.276 4.550 0.003 0.000 0.277 573 Y C 2.351 178.095 175.900 -0.261 0.000 1.159 573 Y CA 2.203 60.243 58.100 -0.100 0.000 1.125 573 Y CB -0.684 37.785 38.460 0.014 0.000 0.969 573 Y HN 0.663 nan 8.280 nan 0.000 0.492 574 A N -0.106 122.319 122.820 -0.659 0.000 2.070 574 A HA 0.311 4.632 4.320 0.003 0.000 0.220 574 A C 1.421 178.764 177.584 -0.401 0.000 1.159 574 A CA 1.511 53.172 52.037 -0.627 0.000 0.656 574 A CB -1.300 17.163 19.000 -0.894 0.000 0.800 574 A HN 0.993 nan 8.150 nan 0.000 0.453 575 G N -1.875 106.746 108.800 -0.299 0.000 2.334 575 G HA2 0.211 4.173 3.960 0.003 0.000 0.315 575 G HA3 0.211 4.173 3.960 0.003 0.000 0.315 575 G C -0.604 174.246 174.900 -0.083 0.000 1.284 575 G CA -0.189 44.806 45.100 -0.175 0.000 0.985 575 G HN 0.687 nan 8.290 nan 0.000 0.504 576 Q N -0.699 119.059 119.800 -0.071 0.000 2.340 576 Q HA 0.591 4.933 4.340 0.003 0.000 0.249 576 Q C -0.713 175.254 176.000 -0.054 0.000 0.957 576 Q CA -0.482 55.299 55.803 -0.037 0.000 0.882 576 Q CB 1.312 30.023 28.738 -0.044 0.000 1.235 576 Q HN 0.752 nan 8.270 nan 0.000 0.439 577 V N 4.836 124.737 119.914 -0.022 0.000 2.577 577 V HA 0.353 4.474 4.120 0.003 0.000 0.303 577 V C -0.536 175.383 176.094 -0.291 0.000 1.042 577 V CA -0.877 61.319 62.300 -0.174 0.000 0.872 577 V CB 1.824 33.566 31.823 -0.135 0.000 0.998 577 V HN 0.891 nan 8.190 nan 0.000 0.423 578 M N 4.887 124.263 119.600 -0.373 0.000 2.157 578 M HA 0.517 4.998 4.480 0.003 0.000 0.354 578 M C -1.028 174.978 176.300 -0.489 0.000 1.170 578 M CA -0.300 54.801 55.300 -0.331 0.000 1.060 578 M CB 0.771 33.260 32.600 -0.185 0.000 1.615 578 M HN 0.555 nan 8.290 nan 0.000 0.460 579 Y N 0.723 120.749 120.300 -0.457 0.000 2.377 579 Y HA 0.423 4.974 4.550 0.003 0.000 0.339 579 Y C 0.337 176.045 175.900 -0.321 0.000 1.011 579 Y CA -0.957 56.915 58.100 -0.380 0.000 1.093 579 Y CB 1.435 39.562 38.460 -0.557 0.000 1.201 579 Y HN 0.544 nan 8.280 nan 0.000 0.455 580 E N 2.385 122.637 120.200 0.087 0.000 2.216 580 E HA 0.273 4.625 4.350 0.003 0.000 0.279 580 E C -0.542 176.016 176.600 -0.071 0.000 0.997 580 E CA -0.279 56.143 56.400 0.037 0.000 0.817 580 E CB 1.329 31.093 29.700 0.108 0.000 1.096 580 E HN 0.684 nan 8.360 nan 0.000 0.393 581 I N 2.861 123.260 120.570 -0.284 0.000 3.860 581 I HA 0.081 4.253 4.170 0.003 0.000 0.319 581 I C 0.638 176.540 176.117 -0.358 0.000 1.279 581 I CA 0.113 60.937 61.300 -0.793 0.000 1.220 581 I CB -0.085 37.605 38.000 -0.518 0.000 1.027 581 I HN 0.663 nan 8.210 nan 0.000 0.428 582 Q N 1.664 121.444 119.800 -0.034 0.000 2.262 582 Q HA -0.134 4.208 4.340 0.003 0.000 0.298 582 Q C -0.217 175.941 176.000 0.263 0.000 1.083 582 Q CA 0.979 56.838 55.803 0.094 0.000 0.962 582 Q CB 0.138 28.927 28.738 0.085 0.000 1.104 582 Q HN 0.406 nan 8.270 nan 0.000 0.376 583 D N 2.962 123.490 120.400 0.212 0.000 3.090 583 D HA -0.209 4.432 4.640 0.003 0.000 0.215 583 D C -0.251 176.229 176.300 0.301 0.000 1.140 583 D CA 0.830 54.958 54.000 0.214 0.000 0.937 583 D CB -1.173 39.721 40.800 0.156 0.000 1.108 583 D HN 0.689 nan 8.370 nan 0.000 0.420 584 W N 0.969 122.250 121.300 -0.032 0.000 2.388 584 W HA 0.077 4.738 4.660 0.002 0.000 0.294 584 W C 2.491 178.884 176.519 -0.210 0.000 1.212 584 W CA 0.497 57.750 57.345 -0.153 0.000 1.271 584 W CB -0.983 28.416 29.460 -0.102 0.000 1.126 584 W HN 0.195 nan 8.180 nan 0.000 0.535 585 L N -0.252 121.054 121.223 0.137 0.000 2.042 585 L HA -0.224 4.117 4.340 0.003 0.000 0.210 585 L C 2.354 179.224 176.870 -0.000 0.000 1.076 585 L CA 1.776 56.645 54.840 0.048 0.000 0.749 585 L CB -0.867 41.228 42.059 0.061 0.000 0.893 585 L HN -0.008 nan 8.230 nan 0.000 0.432 586 E N 0.385 120.596 120.200 0.018 0.000 2.047 586 E HA -0.214 4.137 4.350 0.003 0.000 0.191 586 E C 2.175 178.755 176.600 -0.033 0.000 0.987 586 E CA 1.138 57.542 56.400 0.008 0.000 0.799 586 E CB 0.167 29.887 29.700 0.032 0.000 0.752 586 E HN 0.321 nan 8.360 nan 0.000 0.449 587 K N 0.189 120.540 120.400 -0.081 0.000 2.147 587 K HA -0.154 4.168 4.320 0.003 0.000 0.205 587 K C 1.943 178.407 176.600 -0.227 0.000 1.049 587 K CA 1.343 57.544 56.287 -0.144 0.000 0.936 587 K CB -0.116 32.238 32.500 -0.243 0.000 0.722 587 K HN 0.021 nan 8.250 nan 0.000 0.446 588 N N 0.974 119.476 118.700 -0.330 0.000 2.300 588 N HA -0.075 4.666 4.740 0.003 0.000 0.179 588 N C 1.047 176.509 175.510 -0.080 0.000 1.016 588 N CA 1.153 54.035 53.050 -0.280 0.000 0.876 588 N CB 0.283 38.584 38.487 -0.309 0.000 0.979 588 N HN 0.090 nan 8.380 nan 0.000 0.432 589 K N -0.421 119.949 120.400 -0.049 0.000 2.137 589 K HA 0.002 4.324 4.320 0.003 0.000 0.202 589 K C 0.034 176.639 176.600 0.008 0.000 1.052 589 K CA 0.658 56.941 56.287 -0.007 0.000 0.961 589 K CB 0.112 32.614 32.500 0.003 0.000 0.741 589 K HN 0.026 nan 8.250 nan 0.000 0.452 590 D N 0.976 121.380 120.400 0.006 0.000 2.686 590 D HA -0.093 4.548 4.640 0.003 0.000 0.235 590 D C -2.276 174.041 176.300 0.028 0.000 1.160 590 D CA -0.005 54.009 54.000 0.023 0.000 0.645 590 D CB -0.439 40.383 40.800 0.036 0.000 1.039 590 D HN 0.127 nan 8.370 nan 0.000 0.423 591 P HA 0.318 nan 4.420 nan 0.000 0.270 591 P C -0.330 176.993 177.300 0.039 0.000 1.221 591 P CA -0.264 62.854 63.100 0.031 0.000 0.788 591 P CB 0.602 32.319 31.700 0.029 0.000 0.904 592 L N 0.293 121.542 121.223 0.042 0.000 2.795 592 L HA 0.150 4.491 4.340 0.003 0.000 0.260 592 L C -0.834 176.067 176.870 0.052 0.000 0.935 592 L CA -0.462 54.409 54.840 0.052 0.000 0.985 592 L CB 1.701 43.798 42.059 0.064 0.000 1.433 592 L HN 0.162 nan 8.230 nan 0.000 0.447 593 Q N 2.659 122.488 119.800 0.048 0.000 2.269 593 Q HA -0.075 4.266 4.340 0.003 0.000 0.300 593 Q C 0.719 176.746 176.000 0.045 0.000 1.070 593 Q CA 0.562 56.388 55.803 0.040 0.000 0.957 593 Q CB 1.242 30.000 28.738 0.034 0.000 1.131 593 Q HN 0.732 nan 8.270 nan 0.000 0.377 594 Q N 2.548 122.370 119.800 0.037 0.000 2.152 594 Q HA -0.214 4.128 4.340 0.003 0.000 0.206 594 Q C 0.684 176.701 176.000 0.030 0.000 0.985 594 Q CA 1.956 57.782 55.803 0.038 0.000 0.863 594 Q CB 0.221 28.976 28.738 0.029 0.000 0.904 594 Q HN 0.583 nan 8.270 nan 0.000 0.422 595 D N -0.376 120.035 120.400 0.019 0.000 2.190 595 D HA -0.175 4.467 4.640 0.003 0.000 0.200 595 D C 1.626 177.934 176.300 0.014 0.000 0.992 595 D CA 0.970 54.974 54.000 0.007 0.000 0.854 595 D CB -0.082 40.717 40.800 -0.001 0.000 0.936 595 D HN 0.327 nan 8.370 nan 0.000 0.462 596 L N 0.623 121.871 121.223 0.042 0.000 2.109 596 L HA -0.104 4.237 4.340 0.003 0.000 0.207 596 L C 2.409 179.310 176.870 0.051 0.000 1.086 596 L CA 0.858 55.748 54.840 0.083 0.000 0.760 596 L CB -0.214 41.898 42.059 0.089 0.000 0.910 596 L HN -0.032 nan 8.230 nan 0.000 0.437 597 E N 0.354 120.572 120.200 0.029 0.000 2.051 597 E HA -0.212 4.140 4.350 0.003 0.000 0.192 597 E C 2.338 178.897 176.600 -0.068 0.000 0.991 597 E CA 1.236 57.644 56.400 0.013 0.000 0.799 597 E CB -0.263 29.515 29.700 0.130 0.000 0.748 597 E HN 0.485 nan 8.360 nan 0.000 0.449 598 L N 0.575 121.784 121.223 -0.023 0.000 1.989 598 L HA -0.251 4.091 4.340 0.003 0.000 0.211 598 L C 2.991 179.802 176.870 -0.098 0.000 1.071 598 L CA 1.376 56.191 54.840 -0.041 0.000 0.749 598 L CB -0.897 41.147 42.059 -0.026 0.000 0.890 598 L HN 0.303 nan 8.230 nan 0.000 0.431 599 C N 0.368 119.601 119.300 -0.111 0.000 2.393 599 C HA -0.248 4.213 4.460 0.003 0.000 0.276 599 C C 2.720 177.478 174.990 -0.386 0.000 1.215 599 C CA 0.861 59.747 59.018 -0.220 0.000 1.743 599 C CB -1.017 26.591 27.740 -0.220 0.000 2.044 599 C HN 0.451 nan 8.230 nan 0.000 0.464 600 F N 1.146 120.811 119.950 -0.476 0.000 2.365 600 F HA 0.027 4.556 4.527 0.003 0.000 0.300 600 F C 2.474 177.989 175.800 -0.474 0.000 1.090 600 F CA 1.376 58.982 58.000 -0.656 0.000 1.408 600 F CB -0.419 37.705 39.000 -1.460 0.000 1.060 600 F HN 0.286 nan 8.300 nan 0.000 0.534 601 K N -0.041 120.240 120.400 -0.199 0.000 2.148 601 K HA -0.124 4.198 4.320 0.003 0.000 0.204 601 K C 0.321 176.900 176.600 -0.035 0.000 1.050 601 K CA 1.188 57.447 56.287 -0.047 0.000 0.942 601 K CB -0.244 32.257 32.500 0.002 0.000 0.724 601 K HN 0.243 nan 8.250 nan 0.000 0.446 602 D N 1.292 121.642 120.400 -0.084 0.000 2.676 602 D HA -0.011 4.631 4.640 0.003 0.000 0.239 602 D C 0.141 176.393 176.300 -0.080 0.000 1.213 602 D CA 0.152 54.111 54.000 -0.069 0.000 0.835 602 D CB 0.288 41.041 40.800 -0.077 0.000 1.009 602 D HN -0.039 nan 8.370 nan 0.000 0.479 603 S N 0.167 115.832 115.700 -0.058 0.000 2.603 603 S HA 0.120 4.592 4.470 0.003 0.000 0.268 603 S C 1.638 176.236 174.600 -0.003 0.000 1.317 603 S CA -0.415 57.762 58.200 -0.038 0.000 1.012 603 S CB 1.200 64.417 63.200 0.028 0.000 0.926 603 S HN 0.203 nan 8.310 nan 0.000 0.539 604 S N 2.093 117.796 115.700 0.004 0.000 2.414 604 S HA -0.019 4.452 4.470 0.003 0.000 0.227 604 S C 0.468 175.084 174.600 0.026 0.000 1.022 604 S CA 0.433 58.641 58.200 0.012 0.000 0.958 604 S CB -0.698 62.508 63.200 0.010 0.000 0.797 604 S HN 0.866 nan 8.310 nan 0.000 0.493 605 D N 1.601 122.028 120.400 0.046 0.000 2.458 605 D HA 0.200 4.841 4.640 0.003 0.000 0.243 605 D C 0.910 177.225 176.300 0.026 0.000 1.146 605 D CA -0.003 54.025 54.000 0.047 0.000 0.877 605 D CB 0.458 41.305 40.800 0.078 0.000 1.176 605 D HN 0.006 nan 8.370 nan 0.000 0.461 606 N N 2.097 120.799 118.700 0.003 0.000 2.002 606 N HA -0.208 4.533 4.740 0.003 0.000 0.199 606 N C 1.681 177.150 175.510 -0.068 0.000 1.060 606 N CA 1.555 54.594 53.050 -0.018 0.000 0.867 606 N CB -0.441 38.046 38.487 0.000 0.000 1.069 606 N HN 0.304 nan 8.380 nan 0.000 0.430 607 V N 0.326 120.140 119.914 -0.168 0.000 2.287 607 V HA -0.205 3.917 4.120 0.003 0.000 0.248 607 V C 2.353 178.280 176.094 -0.277 0.000 1.053 607 V CA 1.358 63.410 62.300 -0.412 0.000 1.027 607 V CB -0.693 30.728 31.823 -0.670 0.000 0.646 607 V HN 0.147 nan 8.190 nan 0.000 0.447 608 V N -0.340 119.529 119.914 -0.076 0.000 2.250 608 V HA -0.366 3.756 4.120 0.003 0.000 0.250 608 V C 2.601 178.820 176.094 0.208 0.000 1.060 608 V CA 2.852 65.228 62.300 0.126 0.000 1.030 608 V CB -1.049 30.928 31.823 0.256 0.000 0.643 608 V HN 0.608 nan 8.190 nan 0.000 0.445 609 T N -0.681 113.952 114.554 0.130 0.000 2.759 609 T HA -0.209 4.143 4.350 0.003 0.000 0.269 609 T C 1.941 176.713 174.700 0.121 0.000 1.042 609 T CA 1.442 63.626 62.100 0.141 0.000 1.140 609 T CB -0.200 68.708 68.868 0.067 0.000 0.864 609 T HN 0.465 nan 8.240 nan 0.000 0.455 610 K N 0.888 121.296 120.400 0.012 0.000 2.002 610 K HA 0.007 4.329 4.320 0.003 0.000 0.209 610 K C 2.256 178.845 176.600 -0.017 0.000 1.048 610 K CA 1.055 57.335 56.287 -0.013 0.000 0.930 610 K CB -0.629 31.828 32.500 -0.072 0.000 0.714 610 K HN 0.376 nan 8.250 nan 0.000 0.438 611 L N -0.085 121.071 121.223 -0.111 0.000 2.270 611 L HA -0.189 4.153 4.340 0.003 0.000 0.217 611 L C 1.855 178.493 176.870 -0.387 0.000 1.107 611 L CA 1.364 56.050 54.840 -0.255 0.000 0.772 611 L CB -0.534 41.299 42.059 -0.376 0.000 0.902 611 L HN 0.091 nan 8.230 nan 0.000 0.439 612 F N -1.591 118.354 119.950 -0.008 0.000 2.727 612 F HA 0.109 4.638 4.527 0.003 0.000 0.302 612 F C 1.811 177.622 175.800 0.017 0.000 1.107 612 F CA 0.023 58.029 58.000 0.009 0.000 1.277 612 F CB -0.250 38.770 39.000 0.033 0.000 1.079 612 F HN -0.042 nan 8.300 nan 0.000 0.594 613 N N -0.828 117.973 118.700 0.169 0.000 2.280 613 N HA -0.038 4.703 4.740 0.003 0.000 0.192 613 N C -0.407 175.142 175.510 0.065 0.000 1.109 613 N CA 0.060 53.174 53.050 0.106 0.000 0.855 613 N CB 0.398 38.939 38.487 0.089 0.000 0.974 613 N HN -0.043 nan 8.380 nan 0.000 0.482 614 D N 0.375 120.805 120.400 0.049 0.000 2.414 614 D HA 0.155 4.797 4.640 0.003 0.000 0.232 614 D C -1.756 174.556 176.300 0.020 0.000 1.070 614 D CA -2.585 51.436 54.000 0.036 0.000 0.839 614 D CB 1.609 42.437 40.800 0.048 0.000 1.079 614 D HN -0.057 nan 8.370 nan 0.000 0.521 615 P HA -0.163 nan 4.420 nan 0.000 0.216 615 P C 0.778 178.083 177.300 0.007 0.000 1.150 615 P CA 1.040 64.149 63.100 0.015 0.000 0.843 615 P CB 0.424 32.133 31.700 0.015 0.000 0.787 616 N N -0.738 117.966 118.700 0.007 0.000 2.223 616 N HA -0.082 4.660 4.740 0.003 0.000 0.185 616 N C 1.782 177.291 175.510 -0.002 0.000 1.016 616 N CA 1.113 54.164 53.050 0.001 0.000 0.863 616 N CB -0.376 38.109 38.487 -0.004 0.000 0.983 616 N HN 0.230 nan 8.380 nan 0.000 0.429 617 I N -1.070 119.499 120.570 -0.002 0.000 2.899 617 I HA 0.099 4.271 4.170 0.003 0.000 0.257 617 I C 1.950 178.034 176.117 -0.055 0.000 1.115 617 I CA 0.297 61.587 61.300 -0.017 0.000 1.451 617 I CB -0.247 37.759 38.000 0.011 0.000 1.251 617 I HN 0.026 nan 8.210 nan 0.000 0.456 618 A N 0.293 123.074 122.820 -0.064 0.000 2.121 618 A HA 0.033 4.355 4.320 0.003 0.000 0.218 618 A C 1.038 178.602 177.584 -0.034 0.000 1.154 618 A CA 0.955 52.940 52.037 -0.086 0.000 0.679 618 A CB -0.259 18.710 19.000 -0.053 0.000 0.795 618 A HN 0.403 nan 8.150 nan 0.000 0.458 619 S N -2.251 113.443 115.700 -0.010 0.000 2.569 619 S HA 0.468 4.939 4.470 0.003 0.000 0.280 619 S C 0.473 175.082 174.600 0.014 0.000 1.111 619 S CA -0.790 57.414 58.200 0.008 0.000 0.887 619 S CB 1.717 64.927 63.200 0.017 0.000 1.095 619 S HN 0.381 nan 8.310 nan 0.000 0.476 620 R N 0.358 120.873 120.500 0.024 0.000 2.148 620 R HA 0.095 4.437 4.340 0.003 0.000 0.227 620 R C 0.810 177.130 176.300 0.033 0.000 1.103 620 R CA 1.150 57.271 56.100 0.036 0.000 0.983 620 R CB -0.056 30.273 30.300 0.048 0.000 0.874 620 R HN 0.667 nan 8.270 nan 0.000 0.451 628 I N 2.103 122.690 120.570 0.028 0.000 2.433 628 I HA 0.885 5.057 4.170 0.003 0.000 0.292 628 I C 0.227 176.374 176.117 0.050 0.000 1.001 628 I CA -0.821 60.503 61.300 0.041 0.000 1.119 628 I CB 1.525 39.553 38.000 0.046 0.000 1.289 628 I HN 1.787 nan 8.210 nan 0.000 0.438 629 T N 2.120 116.710 114.554 0.059 0.000 2.904 629 T HA 0.424 4.775 4.350 0.003 0.000 0.290 629 T C 1.225 175.990 174.700 0.108 0.000 1.018 629 T CA 0.257 62.398 62.100 0.069 0.000 1.075 629 T CB 1.331 70.237 68.868 0.063 0.000 0.986 629 T HN 0.885 nan 8.240 nan 0.000 0.523 630 V N 2.087 122.070 119.914 0.114 0.000 2.324 630 V HA -0.204 3.918 4.120 0.003 0.000 0.250 630 V C 2.990 179.256 176.094 0.286 0.000 1.060 630 V CA 2.530 64.941 62.300 0.185 0.000 1.042 630 V CB -1.560 30.375 31.823 0.185 0.000 0.650 630 V HN 1.102 nan 8.190 nan 0.000 0.450 631 A N -0.212 122.799 122.820 0.317 0.000 1.858 631 A HA -0.153 4.169 4.320 0.003 0.000 0.216 631 A C 2.443 180.180 177.584 0.256 0.000 1.190 631 A CA 2.273 54.525 52.037 0.358 0.000 0.617 631 A CB -0.930 18.246 19.000 0.293 0.000 0.827 631 A HN 0.598 nan 8.150 nan 0.000 0.443 632 A N -1.088 121.838 122.820 0.176 0.000 1.902 632 A HA -0.235 4.087 4.320 0.003 0.000 0.217 632 A C 2.229 179.891 177.584 0.131 0.000 1.181 632 A CA 1.826 53.942 52.037 0.131 0.000 0.623 632 A CB -0.628 18.427 19.000 0.091 0.000 0.818 632 A HN 0.648 nan 8.150 nan 0.000 0.443 633 Q N -1.824 118.065 119.800 0.148 0.000 2.124 633 Q HA -0.235 4.107 4.340 0.003 0.000 0.202 633 Q C 1.923 178.021 176.000 0.163 0.000 0.977 633 Q CA 2.033 57.918 55.803 0.137 0.000 0.850 633 Q CB -0.256 28.567 28.738 0.143 0.000 0.901 633 Q HN 0.814 nan 8.270 nan 0.000 0.429 634 Y N 0.982 121.342 120.300 0.100 0.000 2.200 634 Y HA -0.224 4.328 4.550 0.002 0.000 0.290 634 Y C 2.453 178.402 175.900 0.080 0.000 1.137 634 Y CA 1.928 60.079 58.100 0.085 0.000 1.163 634 Y CB 0.069 38.571 38.460 0.070 0.000 0.988 634 Y HN 0.022 nan 8.280 nan 0.000 0.518 635 K N 0.450 120.904 120.400 0.090 0.000 2.103 635 K HA -0.277 4.045 4.320 0.003 0.000 0.207 635 K C 2.092 178.649 176.600 -0.072 0.000 1.048 635 K CA 1.908 58.229 56.287 0.057 0.000 0.930 635 K CB -0.178 32.410 32.500 0.147 0.000 0.716 635 K HN 0.493 nan 8.250 nan 0.000 0.444 636 E N 0.387 120.559 120.200 -0.047 0.000 2.015 636 E HA -0.217 4.134 4.350 0.003 0.000 0.191 636 E C 2.041 178.570 176.600 -0.118 0.000 0.991 636 E CA 1.208 57.577 56.400 -0.053 0.000 0.802 636 E CB 0.025 29.723 29.700 -0.004 0.000 0.759 636 E HN 0.339 nan 8.360 nan 0.000 0.447 637 Q N -0.337 119.387 119.800 -0.127 0.000 2.156 637 Q HA -0.279 4.063 4.340 0.003 0.000 0.211 637 Q C 2.507 178.316 176.000 -0.318 0.000 0.995 637 Q CA 2.274 57.996 55.803 -0.135 0.000 0.877 637 Q CB -0.603 28.134 28.738 -0.001 0.000 0.920 637 Q HN 0.432 nan 8.270 nan 0.000 0.416 638 L N -0.108 120.779 121.223 -0.561 0.000 2.072 638 L HA 0.085 4.426 4.340 0.003 0.000 0.205 638 L C 2.583 179.220 176.870 -0.388 0.000 1.079 638 L CA 2.062 56.532 54.840 -0.617 0.000 0.752 638 L CB -2.101 39.479 42.059 -0.798 0.000 0.906 638 L HN 0.382 nan 8.230 nan 0.000 0.436 639 A N 0.045 122.703 122.820 -0.270 0.000 1.884 639 A HA -0.264 4.058 4.320 0.003 0.000 0.219 639 A C 2.723 180.213 177.584 -0.157 0.000 1.197 639 A CA 2.579 54.516 52.037 -0.167 0.000 0.637 639 A CB -1.093 17.848 19.000 -0.098 0.000 0.827 639 A HN 0.744 nan 8.150 nan 0.000 0.450 640 S N -0.198 115.412 115.700 -0.149 0.000 2.348 640 S HA -0.155 4.316 4.470 0.003 0.000 0.221 640 S C 1.896 176.388 174.600 -0.180 0.000 1.033 640 S CA 1.389 59.515 58.200 -0.124 0.000 1.010 640 S CB -0.746 62.404 63.200 -0.084 0.000 0.891 640 S HN 0.573 nan 8.310 nan 0.000 0.442 641 L N 1.775 122.848 121.223 -0.251 0.000 1.990 641 L HA -0.116 4.226 4.340 0.003 0.000 0.213 641 L C 2.205 178.845 176.870 -0.383 0.000 1.072 641 L CA 1.852 56.468 54.840 -0.374 0.000 0.755 641 L CB -0.642 41.145 42.059 -0.454 0.000 0.889 641 L HN 0.148 nan 8.230 nan 0.000 0.432 642 M N -0.275 119.115 119.600 -0.350 0.000 2.195 642 M HA -0.183 4.299 4.480 0.003 0.000 0.260 642 M C 2.376 178.547 176.300 -0.216 0.000 1.066 642 M CA 1.790 56.894 55.300 -0.327 0.000 1.089 642 M CB -1.929 30.515 32.600 -0.261 0.000 1.377 642 M HN 0.548 nan 8.290 nan 0.000 0.411 643 A N -0.182 122.546 122.820 -0.154 0.000 1.854 643 A HA -0.110 4.212 4.320 0.003 0.000 0.214 643 A C 2.334 179.897 177.584 -0.035 0.000 1.192 643 A CA 2.141 54.136 52.037 -0.069 0.000 0.611 643 A CB -1.136 17.834 19.000 -0.050 0.000 0.832 643 A HN 0.443 nan 8.150 nan 0.000 0.442 644 T N 1.013 115.532 114.554 -0.057 0.000 2.635 644 T HA -0.178 4.173 4.350 0.003 0.000 0.267 644 T C 1.811 176.542 174.700 0.050 0.000 1.040 644 T CA 1.679 63.792 62.100 0.022 0.000 1.156 644 T CB -0.555 68.284 68.868 -0.048 0.000 0.863 644 T HN 0.348 nan 8.240 nan 0.000 0.430 645 L N 0.511 121.667 121.223 -0.112 0.000 2.127 645 L HA -0.142 4.200 4.340 0.003 0.000 0.211 645 L C 2.688 179.571 176.870 0.023 0.000 1.089 645 L CA 1.427 56.191 54.840 -0.128 0.000 0.757 645 L CB -0.583 41.170 42.059 -0.510 0.000 0.899 645 L HN 0.337 nan 8.230 nan 0.000 0.434 646 E N -0.528 119.687 120.200 0.025 0.000 2.265 646 E HA -0.199 4.152 4.350 0.003 0.000 0.196 646 E C 1.987 178.705 176.600 0.198 0.000 0.996 646 E CA 1.529 58.052 56.400 0.205 0.000 0.832 646 E CB 0.120 29.907 29.700 0.145 0.000 0.756 646 E HN 0.508 nan 8.360 nan 0.000 0.491 647 T N -2.124 112.522 114.554 0.154 0.000 3.065 647 T HA 0.003 4.355 4.350 0.003 0.000 0.252 647 T C 1.002 175.779 174.700 0.129 0.000 1.099 647 T CA 0.429 62.615 62.100 0.143 0.000 1.063 647 T CB -0.036 68.922 68.868 0.151 0.000 0.948 647 T HN 0.094 nan 8.240 nan 0.000 0.506 648 T N 0.566 115.204 114.554 0.139 0.000 2.897 648 T HA 0.498 4.849 4.350 0.003 0.000 0.278 648 T C -0.310 174.439 174.700 0.082 0.000 0.981 648 T CA -0.940 61.203 62.100 0.071 0.000 0.973 648 T CB 1.087 69.999 68.868 0.073 0.000 1.092 648 T HN 0.156 nan 8.240 nan 0.000 0.543 649 N N 2.167 120.876 118.700 0.015 0.000 2.419 649 N HA 0.525 5.266 4.740 0.003 0.000 0.277 649 N C -2.774 172.603 175.510 -0.222 0.000 1.006 649 N CA -2.044 50.983 53.050 -0.038 0.000 0.923 649 N CB 1.251 39.734 38.487 -0.007 0.000 1.140 649 N HN 0.422 nan 8.380 nan 0.000 0.488 650 P HA 0.352 nan 4.420 nan 0.000 0.298 650 P C -1.390 175.197 177.300 -1.190 0.000 1.334 650 P CA -0.424 62.281 63.100 -0.659 0.000 0.942 650 P CB 1.737 33.098 31.700 -0.565 0.000 1.162 651 H N 1.688 120.521 119.070 -0.395 0.000 2.529 651 H HA 0.414 4.971 4.556 0.002 0.000 0.348 651 H C -0.699 174.361 175.328 -0.447 0.000 1.079 651 H CA -0.274 55.620 56.048 -0.257 0.000 1.198 651 H CB 1.024 30.756 29.762 -0.050 0.000 1.521 651 H HN 0.293 nan 8.280 nan 0.000 0.514 652 F N 1.487 121.585 119.950 0.246 0.000 2.444 652 F HA 0.348 4.877 4.527 0.003 0.000 0.342 652 F C 0.199 176.213 175.800 0.357 0.000 1.121 652 F CA -0.825 57.358 58.000 0.305 0.000 0.997 652 F CB 1.595 40.794 39.000 0.333 0.000 1.130 652 F HN 0.111 nan 8.300 nan 0.000 0.454 653 V N 4.528 124.691 119.914 0.415 0.000 2.448 653 V HA 0.561 4.682 4.120 0.003 0.000 0.295 653 V C -0.363 175.884 176.094 0.254 0.000 1.025 653 V CA -0.968 61.526 62.300 0.323 0.000 0.859 653 V CB 1.739 33.685 31.823 0.205 0.000 0.988 653 V HN 0.555 nan 8.190 nan 0.000 0.431 654 R N 2.618 123.223 120.500 0.174 0.000 2.310 654 R HA 0.481 4.823 4.340 0.003 0.000 0.324 654 R C -1.059 175.251 176.300 0.016 0.000 0.955 654 R CA -0.377 55.740 56.100 0.028 0.000 0.830 654 R CB 1.410 31.606 30.300 -0.173 0.000 1.154 654 R HN 0.650 nan 8.270 nan 0.000 0.458 655 C N 4.481 123.788 119.300 0.012 0.000 2.347 655 C HA 0.539 5.000 4.460 0.003 0.000 0.353 655 C C 0.807 175.776 174.990 -0.035 0.000 1.273 655 C CA -0.459 58.554 59.018 -0.008 0.000 1.861 655 C CB -0.218 27.523 27.740 0.002 0.000 2.420 655 C HN 0.649 nan 8.230 nan 0.000 0.542 656 I N 4.125 124.658 120.570 -0.061 0.000 2.436 656 I HA 0.384 4.556 4.170 0.003 0.000 0.289 656 I C -0.198 175.866 176.117 -0.089 0.000 1.010 656 I CA -0.377 60.880 61.300 -0.071 0.000 1.098 656 I CB 1.250 39.202 38.000 -0.081 0.000 1.266 656 I HN 0.564 nan 8.210 nan 0.000 0.434 657 I N 8.711 129.254 120.570 -0.045 0.000 2.371 657 I HA 0.177 4.348 4.170 0.003 0.000 0.290 657 I C -1.280 174.830 176.117 -0.012 0.000 1.028 657 I CA -1.692 59.604 61.300 -0.006 0.000 1.345 657 I CB 1.983 40.024 38.000 0.069 0.000 1.407 657 I HN 0.392 nan 8.210 nan 0.000 0.501 658 P HA -0.031 nan 4.420 nan 0.000 0.221 658 P C -0.797 176.515 177.300 0.020 0.000 1.155 658 P CA 1.039 64.094 63.100 -0.074 0.000 0.812 658 P CB 0.081 31.734 31.700 -0.078 0.000 0.801 659 N N -2.737 116.030 118.700 0.112 0.000 3.277 659 N HA 0.149 4.890 4.740 0.003 0.000 0.278 659 N C -0.033 175.519 175.510 0.070 0.000 1.544 659 N CA -0.735 52.358 53.050 0.072 0.000 0.869 659 N CB -0.568 37.959 38.487 0.066 0.000 1.584 659 N HN -0.417 nan 8.380 nan 0.000 0.564 660 N N -0.992 117.718 118.700 0.017 0.000 2.353 660 N HA 0.096 4.838 4.740 0.003 0.000 0.185 660 N C -0.480 174.997 175.510 -0.055 0.000 1.098 660 N CA 0.476 53.523 53.050 -0.004 0.000 0.872 660 N CB 0.161 38.643 38.487 -0.008 0.000 0.970 660 N HN 0.550 nan 8.380 nan 0.000 0.467 661 K N 0.481 120.824 120.400 -0.094 0.000 2.514 661 K HA 0.252 4.573 4.320 0.003 0.000 0.207 661 K C -0.157 176.249 176.600 -0.323 0.000 1.035 661 K CA -0.185 56.009 56.287 -0.156 0.000 1.113 661 K CB 0.510 32.948 32.500 -0.103 0.000 0.846 661 K HN -0.111 nan 8.250 nan 0.000 0.491 662 Q N 0.695 120.150 119.800 -0.575 0.000 2.461 662 Q HA -0.213 4.128 4.340 0.003 0.000 0.273 662 Q C -0.602 174.696 176.000 -1.170 0.000 1.163 662 Q CA 0.522 55.450 55.803 -1.459 0.000 0.929 662 Q CB -1.691 26.491 28.738 -0.927 0.000 1.334 662 Q HN 0.470 nan 8.270 nan 0.000 0.499 663 L N 0.400 121.316 121.223 -0.513 0.000 2.416 663 L HA 0.608 4.949 4.340 0.003 0.000 0.262 663 L C -1.981 175.017 176.870 0.214 0.000 1.093 663 L CA -2.143 52.620 54.840 -0.128 0.000 0.801 663 L CB 0.533 42.573 42.059 -0.032 0.000 1.191 663 L HN -0.141 nan 8.230 nan 0.000 0.459 664 P HA 0.266 nan 4.420 nan 0.000 0.290 664 P C -0.509 176.889 177.300 0.162 0.000 1.283 664 P CA -0.361 62.872 63.100 0.222 0.000 0.869 664 P CB 1.738 33.516 31.700 0.130 0.000 1.100 665 A N 0.773 123.695 122.820 0.170 0.000 2.822 665 A HA -0.185 4.136 4.320 0.003 0.000 0.287 665 A C 0.293 177.980 177.584 0.173 0.000 1.479 665 A CA 1.099 53.221 52.037 0.141 0.000 0.779 665 A CB -2.376 16.658 19.000 0.056 0.000 1.022 665 A HN 0.510 nan 8.150 nan 0.000 0.532 666 K N -0.513 120.030 120.400 0.237 0.000 2.895 666 K HA 0.374 4.695 4.320 0.003 0.000 0.191 666 K C -1.052 175.631 176.600 0.138 0.000 1.117 666 K CA -0.447 55.935 56.287 0.158 0.000 0.988 666 K CB 0.624 33.192 32.500 0.113 0.000 1.181 666 K HN 0.538 nan 8.250 nan 0.000 0.598 667 L N 2.800 124.090 121.223 0.112 0.000 2.270 667 L HA 0.262 4.603 4.340 0.003 0.000 0.286 667 L C -0.271 176.668 176.870 0.115 0.000 1.059 667 L CA 0.078 54.913 54.840 -0.008 0.000 0.839 667 L CB 0.501 42.468 42.059 -0.154 0.000 1.221 667 L HN 0.265 nan 8.230 nan 0.000 0.431 668 E N 2.866 123.106 120.200 0.067 0.000 2.105 668 E HA 0.032 4.384 4.350 0.003 0.000 0.285 668 E C 0.344 176.914 176.600 -0.051 0.000 1.055 668 E CA -0.145 56.273 56.400 0.030 0.000 0.843 668 E CB 0.875 30.572 29.700 -0.005 0.000 1.067 668 E HN 0.725 nan 8.360 nan 0.000 0.398 669 D N 4.146 124.443 120.400 -0.171 0.000 2.126 669 D HA -0.338 4.304 4.640 0.003 0.000 0.190 669 D C 1.893 177.938 176.300 -0.425 0.000 1.001 669 D CA 2.292 55.919 54.000 -0.622 0.000 0.841 669 D CB -0.418 39.958 40.800 -0.706 0.000 0.949 669 D HN 0.394 nan 8.370 nan 0.000 0.446 670 K N 1.168 121.424 120.400 -0.240 0.000 1.991 670 K HA -0.054 4.268 4.320 0.003 0.000 0.212 670 K C 2.618 179.133 176.600 -0.141 0.000 1.049 670 K CA 1.858 58.039 56.287 -0.177 0.000 0.932 670 K CB -1.450 30.976 32.500 -0.123 0.000 0.717 670 K HN 0.194 nan 8.250 nan 0.000 0.441 671 V N 0.910 120.763 119.914 -0.101 0.000 2.453 671 V HA -0.248 3.873 4.120 0.003 0.000 0.252 671 V C 2.448 178.503 176.094 -0.064 0.000 1.068 671 V CA 2.010 64.272 62.300 -0.063 0.000 1.070 671 V CB -0.340 31.464 31.823 -0.032 0.000 0.664 671 V HN 0.422 nan 8.190 nan 0.000 0.461 672 V N -1.026 118.836 119.914 -0.086 0.000 2.599 672 V HA -0.054 4.067 4.120 0.003 0.000 0.245 672 V C 2.121 178.177 176.094 -0.064 0.000 1.046 672 V CA 1.253 63.528 62.300 -0.043 0.000 1.065 672 V CB -0.085 31.785 31.823 0.078 0.000 0.703 672 V HN 0.408 nan 8.190 nan 0.000 0.464 673 L N -0.438 120.701 121.223 -0.140 0.000 2.072 673 L HA -0.133 4.208 4.340 0.003 0.000 0.205 673 L C 2.315 179.133 176.870 -0.087 0.000 1.079 673 L CA 1.473 56.242 54.840 -0.118 0.000 0.752 673 L CB -0.617 41.341 42.059 -0.168 0.000 0.906 673 L HN 0.291 nan 8.230 nan 0.000 0.436 674 D N -0.263 120.083 120.400 -0.090 0.000 2.182 674 D HA -0.212 4.430 4.640 0.003 0.000 0.201 674 D C 2.227 178.494 176.300 -0.054 0.000 0.986 674 D CA 1.240 55.197 54.000 -0.072 0.000 0.847 674 D CB 0.052 40.813 40.800 -0.066 0.000 0.942 674 D HN 0.480 nan 8.370 nan 0.000 0.467 675 Q N -0.178 119.594 119.800 -0.047 0.000 2.083 675 Q HA -0.008 4.333 4.340 0.003 0.000 0.198 675 Q C 2.557 178.529 176.000 -0.046 0.000 0.969 675 Q CA 0.548 56.331 55.803 -0.034 0.000 0.838 675 Q CB -0.005 28.714 28.738 -0.031 0.000 0.900 675 Q HN 0.306 nan 8.270 nan 0.000 0.436 676 L N 0.185 121.375 121.223 -0.055 0.000 2.265 676 L HA -0.158 4.183 4.340 0.003 0.000 0.215 676 L C 2.350 179.188 176.870 -0.054 0.000 1.117 676 L CA 0.984 55.783 54.840 -0.068 0.000 0.782 676 L CB -0.347 41.682 42.059 -0.051 0.000 0.914 676 L HN 0.134 nan 8.230 nan 0.000 0.441 677 R N -0.976 119.495 120.500 -0.049 0.000 2.090 677 R HA -0.066 4.275 4.340 0.003 0.000 0.228 677 R C 2.404 178.680 176.300 -0.041 0.000 1.110 677 R CA 1.323 57.390 56.100 -0.054 0.000 0.973 677 R CB -0.359 29.893 30.300 -0.081 0.000 0.869 677 R HN 0.381 nan 8.270 nan 0.000 0.440 678 C N 1.395 120.685 119.300 -0.016 0.000 2.466 678 C HA -0.034 4.428 4.460 0.003 0.000 0.278 678 C C 2.018 177.151 174.990 0.237 0.000 1.288 678 C CA 0.750 59.799 59.018 0.052 0.000 1.722 678 C CB -0.909 26.867 27.740 0.061 0.000 2.017 678 C HN 0.624 nan 8.230 nan 0.000 0.488 679 N N 0.749 119.513 118.700 0.106 0.000 2.521 679 N HA 0.161 4.902 4.740 0.003 0.000 0.188 679 N C 1.147 176.613 175.510 -0.074 0.000 1.146 679 N CA 1.224 54.292 53.050 0.030 0.000 0.893 679 N CB -0.481 37.946 38.487 -0.101 0.000 0.975 679 N HN 0.583 nan 8.380 nan 0.000 0.451 680 G N -0.955 107.885 108.800 0.067 0.000 2.217 680 G HA2 -0.324 3.638 3.960 0.003 0.000 0.246 680 G HA3 -0.324 3.638 3.960 0.003 0.000 0.246 680 G C 0.823 175.683 174.900 -0.066 0.000 0.990 680 G CA 0.292 45.427 45.100 0.058 0.000 0.627 680 G HN 0.262 nan 8.290 nan 0.000 0.522 681 V N 0.952 120.697 119.914 -0.282 0.000 2.392 681 V HA -0.106 4.016 4.120 0.003 0.000 0.249 681 V C 2.835 178.934 176.094 0.009 0.000 1.059 681 V CA 2.358 64.503 62.300 -0.257 0.000 1.051 681 V CB -0.319 31.287 31.823 -0.361 0.000 0.658 681 V HN 0.513 nan 8.190 nan 0.000 0.455 682 L N -0.658 120.572 121.223 0.010 0.000 2.179 682 L HA -0.094 4.247 4.340 0.003 0.000 0.208 682 L C 2.518 179.441 176.870 0.088 0.000 1.096 682 L CA 1.334 56.201 54.840 0.045 0.000 0.779 682 L CB -0.420 41.647 42.059 0.013 0.000 0.922 682 L HN 0.388 nan 8.230 nan 0.000 0.443 683 E N 0.405 120.680 120.200 0.125 0.000 2.072 683 E HA -0.148 4.203 4.350 0.003 0.000 0.190 683 E C 2.157 178.873 176.600 0.193 0.000 0.982 683 E CA 0.962 57.458 56.400 0.160 0.000 0.803 683 E CB -0.058 29.777 29.700 0.225 0.000 0.755 683 E HN 0.438 nan 8.360 nan 0.000 0.453 684 G N 1.723 110.673 108.800 0.250 0.000 2.529 684 G HA2 -0.303 3.659 3.960 0.003 0.000 0.219 684 G HA3 -0.303 3.659 3.960 0.003 0.000 0.219 684 G C 1.589 176.620 174.900 0.218 0.000 1.177 684 G CA 1.181 46.462 45.100 0.302 0.000 0.773 684 G HN 0.241 nan 8.290 nan 0.000 0.573 685 I N 0.113 120.794 120.570 0.184 0.000 2.127 685 I HA -0.187 3.985 4.170 0.003 0.000 0.241 685 I C 3.043 179.232 176.117 0.120 0.000 1.075 685 I CA 1.336 62.721 61.300 0.141 0.000 1.334 685 I CB -0.223 37.843 38.000 0.111 0.000 1.040 685 I HN 0.083 nan 8.210 nan 0.000 0.405 686 R N 0.343 120.909 120.500 0.110 0.000 2.134 686 R HA -0.226 4.116 4.340 0.003 0.000 0.248 686 R C 2.258 178.618 176.300 0.100 0.000 1.143 686 R CA 1.885 58.042 56.100 0.094 0.000 0.957 686 R CB -0.478 29.875 30.300 0.089 0.000 0.867 686 R HN 0.405 nan 8.270 nan 0.000 0.441 687 I N -0.444 120.197 120.570 0.119 0.000 2.439 687 I HA -0.178 3.994 4.170 0.003 0.000 0.251 687 I C 1.910 178.096 176.117 0.114 0.000 1.139 687 I CA 1.116 62.486 61.300 0.116 0.000 1.438 687 I CB -0.329 37.752 38.000 0.136 0.000 1.085 687 I HN 0.205 nan 8.210 nan 0.000 0.427 688 T N 0.298 114.928 114.554 0.126 0.000 2.857 688 T HA -0.150 4.201 4.350 0.003 0.000 0.266 688 T C 1.987 176.763 174.700 0.126 0.000 1.048 688 T CA 0.990 63.168 62.100 0.131 0.000 1.139 688 T CB -0.228 68.723 68.868 0.137 0.000 0.874 688 T HN 0.257 nan 8.240 nan 0.000 0.455 689 R N 1.330 121.893 120.500 0.105 0.000 2.105 689 R HA -0.093 4.249 4.340 0.003 0.000 0.239 689 R C 2.136 178.479 176.300 0.071 0.000 1.135 689 R CA 1.478 57.628 56.100 0.082 0.000 0.967 689 R CB -0.057 30.289 30.300 0.077 0.000 0.861 689 R HN 0.304 nan 8.270 nan 0.000 0.442 690 K N -0.717 119.733 120.400 0.084 0.000 2.147 690 K HA -0.038 4.284 4.320 0.003 0.000 0.205 690 K C 1.588 178.250 176.600 0.103 0.000 1.049 690 K CA 1.146 57.480 56.287 0.079 0.000 0.936 690 K CB -0.049 32.502 32.500 0.085 0.000 0.722 690 K HN 0.358 nan 8.250 nan 0.000 0.446 691 G N 0.407 109.312 108.800 0.174 0.000 3.142 691 G HA2 0.122 4.084 3.960 0.003 0.000 0.178 691 G HA3 0.122 4.084 3.960 0.003 0.000 0.178 691 G C -0.348 174.742 174.900 0.317 0.000 1.941 691 G CA -0.292 45.033 45.100 0.376 0.000 0.902 691 G HN 0.146 nan 8.290 nan 0.000 0.517 692 F N 1.403 121.503 119.950 0.250 0.000 2.660 692 F HA 0.336 4.865 4.527 0.003 0.000 0.352 692 F C -1.583 174.221 175.800 0.006 0.000 1.257 692 F CA -1.510 56.574 58.000 0.139 0.000 1.200 692 F CB 2.661 41.763 39.000 0.170 0.000 1.473 692 F HN 0.140 nan 8.300 nan 0.000 0.561 693 P HA -0.136 nan 4.420 nan 0.000 0.217 693 P C -0.528 176.779 177.300 0.012 0.000 1.150 693 P CA 1.266 64.412 63.100 0.077 0.000 0.832 693 P CB 0.117 31.856 31.700 0.066 0.000 0.787 694 N N 0.751 119.470 118.700 0.031 0.000 2.419 694 N HA 0.272 5.014 4.740 0.003 0.000 0.264 694 N C -0.240 175.208 175.510 -0.104 0.000 1.031 694 N CA -0.436 52.640 53.050 0.043 0.000 0.951 694 N CB 0.500 39.088 38.487 0.168 0.000 1.101 694 N HN 0.004 nan 8.380 nan 0.000 0.488 695 R N 2.970 123.341 120.500 -0.215 0.000 2.576 695 R HA 0.383 4.725 4.340 0.003 0.000 0.283 695 R C -0.895 175.302 176.300 -0.172 0.000 1.493 695 R CA -0.468 55.357 56.100 -0.459 0.000 1.170 695 R CB 0.748 30.495 30.300 -0.922 0.000 1.189 695 R HN 0.442 nan 8.270 nan 0.000 0.542 696 I N 2.609 123.137 120.570 -0.071 0.000 2.440 696 I HA 0.255 4.426 4.170 0.003 0.000 0.294 696 I C 0.576 176.644 176.117 -0.082 0.000 0.995 696 I CA -1.298 60.014 61.300 0.020 0.000 1.306 696 I CB 1.038 39.161 38.000 0.206 0.000 1.407 696 I HN 0.248 nan 8.210 nan 0.000 0.501 697 I N 5.365 125.936 120.570 0.001 0.000 2.598 697 I HA -0.070 4.102 4.170 0.003 0.000 0.284 697 I C 1.005 177.172 176.117 0.082 0.000 1.140 697 I CA 0.325 61.630 61.300 0.009 0.000 1.420 697 I CB -0.228 37.818 38.000 0.076 0.000 1.387 697 I HN 0.514 nan 8.210 nan 0.000 0.553 698 Y N 5.525 125.902 120.300 0.128 0.000 2.069 698 Y HA -0.361 4.191 4.550 0.002 0.000 0.278 698 Y C 2.362 178.391 175.900 0.215 0.000 1.175 698 Y CA 2.191 60.385 58.100 0.156 0.000 1.134 698 Y CB -0.380 38.158 38.460 0.131 0.000 0.965 698 Y HN 0.715 nan 8.280 nan 0.000 0.498 699 A N 0.089 123.108 122.820 0.331 0.000 1.940 699 A HA -0.231 4.090 4.320 0.003 0.000 0.219 699 A C 1.853 179.561 177.584 0.207 0.000 1.176 699 A CA 2.134 54.308 52.037 0.229 0.000 0.631 699 A CB -0.689 18.403 19.000 0.153 0.000 0.814 699 A HN 0.454 nan 8.150 nan 0.000 0.446 700 D N -1.219 119.305 120.400 0.206 0.000 2.144 700 D HA -0.118 4.524 4.640 0.003 0.000 0.200 700 D C 1.624 178.055 176.300 0.217 0.000 0.978 700 D CA 1.172 55.274 54.000 0.169 0.000 0.833 700 D CB -0.452 40.439 40.800 0.151 0.000 0.961 700 D HN 0.491 nan 8.370 nan 0.000 0.470 701 F N 2.058 122.127 119.950 0.198 0.000 2.069 701 F HA -0.259 4.269 4.527 0.002 0.000 0.298 701 F C 2.225 178.212 175.800 0.312 0.000 1.113 701 F CA 1.240 59.430 58.000 0.317 0.000 1.214 701 F CB -0.391 38.794 39.000 0.308 0.000 0.978 701 F HN -0.214 nan 8.300 nan 0.000 0.474 702 V N 1.966 122.092 119.914 0.353 0.000 2.392 702 V HA -0.365 3.757 4.120 0.003 0.000 0.249 702 V C 2.618 178.799 176.094 0.145 0.000 1.059 702 V CA 2.245 64.696 62.300 0.251 0.000 1.051 702 V CB -1.247 30.749 31.823 0.287 0.000 0.658 702 V HN 0.432 nan 8.190 nan 0.000 0.455 703 K N 1.621 122.069 120.400 0.079 0.000 2.074 703 K HA -0.277 4.045 4.320 0.003 0.000 0.209 703 K C 2.279 178.894 176.600 0.025 0.000 1.048 703 K CA 2.518 58.828 56.287 0.039 0.000 0.926 703 K CB -0.221 32.279 32.500 0.001 0.000 0.713 703 K HN 0.488 nan 8.250 nan 0.000 0.444 704 R N -1.121 119.221 120.500 -0.264 0.000 2.112 704 R HA -0.018 4.323 4.340 0.003 0.000 0.216 704 R C 1.435 177.156 176.300 -0.966 0.000 1.080 704 R CA 0.766 56.494 56.100 -0.619 0.000 0.996 704 R CB -0.051 29.669 30.300 -0.967 0.000 0.902 704 R HN 0.191 nan 8.270 nan 0.000 0.449 705 Y N -0.268 119.759 120.300 -0.455 0.000 2.457 705 Y HA 0.063 4.614 4.550 0.002 0.000 0.263 705 Y C 1.306 176.912 175.900 -0.490 0.000 1.164 705 Y CA -0.438 57.274 58.100 -0.647 0.000 1.274 705 Y CB -0.277 37.608 38.460 -0.958 0.000 1.097 705 Y HN 0.192 nan 8.280 nan 0.000 0.523 706 Y N -0.358 119.823 120.300 -0.197 0.000 2.298 706 Y HA -0.242 4.310 4.550 0.004 0.000 0.287 706 Y C 2.043 177.870 175.900 -0.123 0.000 1.164 706 Y CA 1.107 59.150 58.100 -0.095 0.000 1.229 706 Y CB -1.200 37.224 38.460 -0.061 0.000 0.977 706 Y HN 0.009 nan 8.280 nan 0.000 0.538 707 L N -1.490 118.878 121.223 -1.425 0.000 2.610 707 L HA 0.245 4.586 4.340 0.003 0.000 0.232 707 L C 1.675 178.247 176.870 -0.497 0.000 1.149 707 L CA 0.713 54.982 54.840 -0.952 0.000 0.872 707 L CB -1.808 39.684 42.059 -0.944 0.000 0.992 707 L HN 0.558 nan 8.230 nan 0.000 0.447 708 L N 0.443 121.409 121.223 -0.428 0.000 2.249 708 L HA 0.441 4.782 4.340 0.003 0.000 0.207 708 L C 1.707 178.399 176.870 -0.296 0.000 1.090 708 L CA 0.769 55.435 54.840 -0.290 0.000 0.802 708 L CB -0.259 41.675 42.059 -0.210 0.000 0.947 708 L HN 0.465 nan 8.230 nan 0.000 0.453 709 A N 0.700 123.344 122.820 -0.293 0.000 2.256 709 A HA 0.538 4.859 4.320 0.003 0.000 0.317 709 A C -2.393 174.987 177.584 -0.340 0.000 1.318 709 A CA -1.521 50.225 52.037 -0.485 0.000 0.894 709 A CB -0.002 18.960 19.000 -0.063 0.000 1.165 709 A HN -0.138 nan 8.150 nan 0.000 0.525 710 P HA 0.115 nan 4.420 nan 0.000 0.258 710 P C -0.066 177.206 177.300 -0.045 0.000 1.214 710 P CA 0.583 63.592 63.100 -0.152 0.000 0.872 710 P CB 0.439 32.074 31.700 -0.108 0.000 0.890 711 N N 1.084 119.782 118.700 -0.004 0.000 2.535 711 N HA 0.002 4.744 4.740 0.003 0.000 0.317 711 N C -0.514 175.029 175.510 0.055 0.000 0.622 711 N CA 0.257 53.330 53.050 0.038 0.000 1.016 711 N CB 0.481 39.004 38.487 0.061 0.000 2.143 711 N HN 0.039 nan 8.380 nan 0.000 1.529 712 V N 2.030 121.992 119.914 0.081 0.000 2.834 712 V HA 0.735 4.856 4.120 0.003 0.000 0.313 712 V C -1.734 174.451 176.094 0.152 0.000 1.060 712 V CA -0.794 61.574 62.300 0.113 0.000 0.989 712 V CB 1.231 33.146 31.823 0.154 0.000 1.041 712 V HN 0.212 nan 8.190 nan 0.000 0.459 713 P HA 0.552 nan 4.420 nan 0.000 0.296 713 P C 0.425 177.579 177.300 -0.244 0.000 1.310 713 P CA 0.179 63.231 63.100 -0.080 0.000 0.900 713 P CB 1.614 33.267 31.700 -0.079 0.000 1.111 714 R N 0.680 120.736 120.500 -0.739 0.000 2.083 714 R HA 0.117 4.458 4.340 0.003 0.000 0.237 714 R C 1.186 177.293 176.300 -0.322 0.000 1.137 714 R CA 2.571 58.108 56.100 -0.938 0.000 0.951 714 R CB -1.701 27.920 30.300 -1.133 0.000 0.851 714 R HN 0.881 nan 8.270 nan 0.000 0.434 715 D N -1.394 118.867 120.400 -0.231 0.000 2.312 715 D HA 0.749 5.391 4.640 0.003 0.000 0.248 715 D C 0.101 176.365 176.300 -0.060 0.000 1.086 715 D CA 0.128 54.064 54.000 -0.108 0.000 0.948 715 D CB 1.110 41.855 40.800 -0.093 0.000 1.162 715 D HN 1.478 nan 8.370 nan 0.000 0.446 716 A N 0.256 123.064 122.820 -0.020 0.000 2.594 716 A HA 0.532 4.853 4.320 0.003 0.000 0.301 716 A C 0.202 177.791 177.584 0.009 0.000 1.022 716 A CA 0.070 52.106 52.037 -0.002 0.000 0.738 716 A CB 0.545 19.554 19.000 0.015 0.000 1.263 716 A HN 0.667 nan 8.150 nan 0.000 0.409 717 E N 0.486 120.687 120.200 0.002 0.000 2.318 717 E HA 0.076 4.427 4.350 0.003 0.000 0.193 717 E C 0.291 176.889 176.600 -0.004 0.000 0.998 717 E CA 0.743 57.143 56.400 0.001 0.000 0.859 717 E CB 0.349 30.047 29.700 -0.004 0.000 0.812 717 E HN 0.406 nan 8.360 nan 0.000 0.492 718 D N 0.611 121.006 120.400 -0.007 0.000 3.168 718 D HA 0.200 4.842 4.640 0.003 0.000 0.255 718 D C 0.337 176.626 176.300 -0.018 0.000 1.314 718 D CA -0.065 53.919 54.000 -0.026 0.000 0.900 718 D CB 0.122 40.904 40.800 -0.030 0.000 1.072 718 D HN -0.019 nan 8.370 nan 0.000 0.487 719 S N 0.163 115.865 115.700 0.003 0.000 2.372 719 S HA -0.234 4.237 4.470 0.003 0.000 0.227 719 S C 1.831 176.432 174.600 0.000 0.000 1.044 719 S CA 1.186 59.422 58.200 0.060 0.000 1.050 719 S CB 0.066 63.346 63.200 0.134 0.000 0.901 719 S HN 0.538 nan 8.310 nan 0.000 0.447 720 Q N 0.265 119.906 119.800 -0.266 0.000 2.135 720 Q HA -0.137 4.205 4.340 0.003 0.000 0.204 720 Q C 2.300 178.193 176.000 -0.179 0.000 0.981 720 Q CA 1.208 56.706 55.803 -0.509 0.000 0.856 720 Q CB -0.134 28.187 28.738 -0.696 0.000 0.902 720 Q HN 0.437 nan 8.270 nan 0.000 0.425 721 K N -0.258 120.062 120.400 -0.133 0.000 2.057 721 K HA -0.123 4.198 4.320 0.003 0.000 0.206 721 K C 1.982 178.593 176.600 0.018 0.000 1.050 721 K CA 0.982 57.220 56.287 -0.081 0.000 0.935 721 K CB -0.044 32.419 32.500 -0.063 0.000 0.715 721 K HN 0.139 nan 8.250 nan 0.000 0.439 722 A N 0.467 123.329 122.820 0.072 0.000 1.841 722 A HA -0.145 4.177 4.320 0.003 0.000 0.214 722 A C 2.164 179.893 177.584 0.241 0.000 1.195 722 A CA 2.111 54.239 52.037 0.150 0.000 0.611 722 A CB -1.133 17.969 19.000 0.170 0.000 0.835 722 A HN 0.292 nan 8.150 nan 0.000 0.443 723 T N 0.025 114.760 114.554 0.302 0.000 2.751 723 T HA -0.218 4.133 4.350 0.003 0.000 0.268 723 T C 1.656 176.525 174.700 0.282 0.000 1.045 723 T CA 1.969 64.273 62.100 0.341 0.000 1.142 723 T CB -0.456 68.623 68.868 0.352 0.000 0.851 723 T HN 0.601 nan 8.240 nan 0.000 0.474 724 D N 0.731 121.320 120.400 0.316 0.000 2.084 724 D HA 0.025 4.666 4.640 0.003 0.000 0.196 724 D C 2.315 178.716 176.300 0.169 0.000 0.985 724 D CA 1.281 55.429 54.000 0.246 0.000 0.826 724 D CB -0.480 40.338 40.800 0.030 0.000 0.978 724 D HN 0.340 nan 8.370 nan 0.000 0.456 725 A N 0.058 122.969 122.820 0.151 0.000 1.940 725 A HA -0.146 4.176 4.320 0.003 0.000 0.219 725 A C 2.576 180.278 177.584 0.197 0.000 1.176 725 A CA 1.700 53.826 52.037 0.148 0.000 0.631 725 A CB -0.823 18.256 19.000 0.132 0.000 0.814 725 A HN 0.231 nan 8.150 nan 0.000 0.446 726 V N -0.304 119.752 119.914 0.237 0.000 2.283 726 V HA -0.181 3.940 4.120 0.003 0.000 0.243 726 V C 2.439 178.675 176.094 0.236 0.000 1.039 726 V CA 1.643 64.106 62.300 0.272 0.000 1.016 726 V CB -0.648 31.404 31.823 0.383 0.000 0.650 726 V HN 0.485 nan 8.190 nan 0.000 0.449 727 L N -0.059 121.268 121.223 0.173 0.000 2.089 727 L HA -0.247 4.095 4.340 0.003 0.000 0.213 727 L C 2.316 179.235 176.870 0.082 0.000 1.079 727 L CA 1.961 56.823 54.840 0.036 0.000 0.758 727 L CB -1.258 40.699 42.059 -0.170 0.000 0.891 727 L HN 0.337 nan 8.230 nan 0.000 0.433 728 K N -1.894 118.578 120.400 0.121 0.000 2.031 728 K HA -0.172 4.150 4.320 0.003 0.000 0.205 728 K C 2.141 178.769 176.600 0.047 0.000 1.049 728 K CA 0.941 57.288 56.287 0.100 0.000 0.939 728 K CB -0.117 32.443 32.500 0.101 0.000 0.717 728 K HN 0.271 nan 8.250 nan 0.000 0.438 729 H N 0.732 119.847 119.070 0.075 0.000 2.257 729 H HA -0.147 4.410 4.556 0.001 0.000 0.292 729 H C 1.628 176.991 175.328 0.059 0.000 1.075 729 H CA 2.391 58.476 56.048 0.062 0.000 1.212 729 H CB -0.426 29.371 29.762 0.059 0.000 1.354 729 H HN 0.065 nan 8.280 nan 0.000 0.497 730 L N 0.020 121.299 121.223 0.093 0.000 2.263 730 L HA -0.200 4.142 4.340 0.003 0.000 0.216 730 L C 1.096 177.976 176.870 0.016 0.000 1.111 730 L CA 1.452 56.344 54.840 0.087 0.000 0.773 730 L CB -0.654 41.482 42.059 0.129 0.000 0.906 730 L HN 0.632 nan 8.230 nan 0.000 0.439 731 N N 0.099 118.804 118.700 0.008 0.000 2.780 731 N HA -0.181 4.560 4.740 0.003 0.000 0.247 731 N C -0.312 175.255 175.510 0.095 0.000 1.076 731 N CA -0.343 52.728 53.050 0.034 0.000 0.688 731 N CB -0.703 37.781 38.487 -0.005 0.000 0.957 731 N HN 0.209 nan 8.380 nan 0.000 0.551 732 I N 1.009 121.661 120.570 0.137 0.000 2.519 732 I HA 0.040 4.212 4.170 0.003 0.000 0.287 732 I C 0.796 177.128 176.117 0.358 0.000 1.047 732 I CA -0.359 61.069 61.300 0.212 0.000 1.381 732 I CB 0.630 38.731 38.000 0.170 0.000 1.417 732 I HN 0.201 nan 8.210 nan 0.000 0.540 733 D N 8.784 129.364 120.400 0.300 0.000 2.368 733 D HA 0.034 4.676 4.640 0.003 0.000 0.268 733 D C -1.619 174.794 176.300 0.188 0.000 1.298 733 D CA -1.733 52.401 54.000 0.224 0.000 0.938 733 D CB 0.811 41.688 40.800 0.128 0.000 1.101 733 D HN 0.192 nan 8.370 nan 0.000 0.509 734 P HA -0.225 nan 4.420 nan 0.000 0.219 734 P C 0.762 177.753 177.300 -0.514 0.000 1.147 734 P CA 1.247 64.112 63.100 -0.391 0.000 0.821 734 P CB 0.187 31.823 31.700 -0.107 0.000 0.771 735 E N -1.088 119.001 120.200 -0.186 0.000 2.285 735 E HA -0.113 4.239 4.350 0.003 0.000 0.194 735 E C 1.860 178.443 176.600 -0.028 0.000 0.997 735 E CA 0.372 56.727 56.400 -0.075 0.000 0.845 735 E CB -0.174 29.529 29.700 0.003 0.000 0.782 735 E HN 0.208 nan 8.360 nan 0.000 0.491 736 Q N -0.553 119.258 119.800 0.019 0.000 2.472 736 Q HA -0.031 4.310 4.340 0.003 0.000 0.208 736 Q C -0.279 175.942 176.000 0.368 0.000 0.958 736 Q CA 0.688 56.615 55.803 0.207 0.000 0.932 736 Q CB 0.156 29.113 28.738 0.366 0.000 1.007 736 Q HN 0.368 nan 8.270 nan 0.000 0.508 737 Y N -3.283 117.159 120.300 0.237 0.000 2.609 737 Y HA 0.774 5.325 4.550 0.002 0.000 0.336 737 Y C -0.740 175.255 175.900 0.159 0.000 1.129 737 Y CA -1.628 56.564 58.100 0.153 0.000 1.040 737 Y CB 0.914 39.217 38.460 -0.263 0.000 1.310 737 Y HN -0.393 nan 8.280 nan 0.000 0.460 738 R N 1.459 122.029 120.500 0.116 0.000 2.621 738 R HA 0.472 4.813 4.340 0.003 0.000 0.292 738 R C -2.070 174.109 176.300 -0.203 0.000 0.969 738 R CA -1.842 54.194 56.100 -0.107 0.000 0.887 738 R CB 1.474 31.525 30.300 -0.417 0.000 1.180 738 R HN 0.805 nan 8.270 nan 0.000 0.450 739 F N 0.937 120.857 119.950 -0.049 0.000 2.421 739 F HA 0.438 4.966 4.527 0.002 0.000 0.358 739 F C 1.392 177.137 175.800 -0.091 0.000 1.115 739 F CA 0.351 58.370 58.000 0.032 0.000 1.160 739 F CB 1.336 40.391 39.000 0.091 0.000 1.123 739 F HN 0.540 nan 8.300 nan 0.000 0.508 740 G N 3.710 112.504 108.800 -0.010 0.000 2.462 740 G HA2 0.355 4.316 3.960 0.003 0.000 0.319 740 G HA3 0.355 4.316 3.960 0.003 0.000 0.319 740 G C 0.806 175.826 174.900 0.200 0.000 1.171 740 G CA -0.551 44.462 45.100 -0.145 0.000 0.920 740 G HN 0.697 nan 8.290 nan 0.000 0.499 741 I N -0.244 120.374 120.570 0.080 0.000 2.264 741 I HA -0.130 4.042 4.170 0.003 0.000 0.248 741 I C 2.618 178.933 176.117 0.330 0.000 1.111 741 I CA 1.756 63.151 61.300 0.159 0.000 1.382 741 I CB 0.298 38.325 38.000 0.045 0.000 1.060 741 I HN 0.534 nan 8.210 nan 0.000 0.418 742 T N -1.573 113.121 114.554 0.233 0.000 3.056 742 T HA 0.188 4.540 4.350 0.003 0.000 0.243 742 T C 0.543 175.198 174.700 -0.075 0.000 0.995 742 T CA 0.046 62.274 62.100 0.213 0.000 1.091 742 T CB 0.453 69.379 68.868 0.095 0.000 0.990 742 T HN -0.023 nan 8.240 nan 0.000 0.464 743 K N 0.976 121.234 120.400 -0.237 0.000 2.208 743 K HA 0.549 4.870 4.320 0.003 0.000 0.247 743 K C -1.065 175.139 176.600 -0.659 0.000 0.953 743 K CA -0.619 55.429 56.287 -0.398 0.000 0.837 743 K CB 2.026 34.550 32.500 0.040 0.000 1.131 743 K HN 0.070 nan 8.250 nan 0.000 0.431 744 I N 3.030 123.138 120.570 -0.770 0.000 2.353 744 I HA 0.287 4.459 4.170 0.003 0.000 0.293 744 I C -1.180 174.738 176.117 -0.332 0.000 0.992 744 I CA -0.515 60.360 61.300 -0.708 0.000 1.268 744 I CB 0.429 37.814 38.000 -1.025 0.000 1.387 744 I HN 0.462 nan 8.210 nan 0.000 0.478 745 F N 7.687 127.314 119.950 -0.539 0.000 2.405 745 F HA 0.413 4.942 4.527 0.002 0.000 0.355 745 F C -0.173 175.589 175.800 -0.064 0.000 1.121 745 F CA -0.382 57.483 58.000 -0.225 0.000 1.112 745 F CB 0.824 39.656 39.000 -0.281 0.000 1.126 745 F HN 0.211 nan 8.300 nan 0.000 0.481 746 F N 3.019 123.103 119.950 0.224 0.000 2.492 746 F HA 0.561 5.091 4.527 0.004 0.000 0.327 746 F C 0.598 176.372 175.800 -0.043 0.000 1.079 746 F CA -1.055 57.027 58.000 0.138 0.000 0.967 746 F CB 1.311 40.326 39.000 0.024 0.000 1.169 746 F HN 0.242 nan 8.300 nan 0.000 0.472 747 R N 0.927 121.478 120.500 0.083 0.000 2.528 747 R HA 0.640 4.982 4.340 0.003 0.000 0.271 747 R C -0.446 175.820 176.300 -0.058 0.000 1.056 747 R CA -0.826 55.141 56.100 -0.221 0.000 1.117 747 R CB 1.137 31.238 30.300 -0.331 0.000 1.085 747 R HN 0.751 nan 8.270 nan 0.000 0.530 748 A N 0.589 123.369 122.820 -0.067 0.000 2.548 748 A HA 0.329 4.650 4.320 0.003 0.000 0.247 748 A C 1.250 178.841 177.584 0.012 0.000 1.067 748 A CA 1.035 53.063 52.037 -0.015 0.000 0.757 748 A CB -0.494 18.524 19.000 0.029 0.000 0.996 748 A HN 0.919 nan 8.150 nan 0.000 0.504 749 G N 1.357 110.114 108.800 -0.072 0.000 2.284 749 G HA2 -0.372 3.590 3.960 0.003 0.000 0.247 749 G HA3 -0.372 3.590 3.960 0.003 0.000 0.247 749 G C 1.204 176.001 174.900 -0.171 0.000 1.012 749 G CA 1.194 46.223 45.100 -0.118 0.000 0.618 749 G HN 1.034 nan 8.290 nan 0.000 0.521 750 Q N 0.310 120.032 119.800 -0.129 0.000 2.014 750 Q HA -0.021 4.320 4.340 0.003 0.000 0.207 750 Q C 2.525 178.318 176.000 -0.345 0.000 0.993 750 Q CA 2.495 58.203 55.803 -0.160 0.000 0.850 750 Q CB -0.653 28.056 28.738 -0.048 0.000 0.916 750 Q HN 0.720 nan 8.270 nan 0.000 0.417 751 L N 0.298 121.207 121.223 -0.524 0.000 2.013 751 L HA -0.136 4.206 4.340 0.003 0.000 0.212 751 L C 2.199 178.934 176.870 -0.226 0.000 1.073 751 L CA 2.408 56.951 54.840 -0.495 0.000 0.753 751 L CB -1.526 40.344 42.059 -0.314 0.000 0.890 751 L HN 0.343 nan 8.230 nan 0.000 0.432 752 A N -1.196 121.448 122.820 -0.294 0.000 1.948 752 A HA -0.247 4.074 4.320 0.003 0.000 0.220 752 A C 2.330 179.865 177.584 -0.082 0.000 1.177 752 A CA 1.775 53.646 52.037 -0.277 0.000 0.636 752 A CB -0.425 18.055 19.000 -0.868 0.000 0.815 752 A HN 0.376 nan 8.150 nan 0.000 0.449 753 R N -0.375 120.074 120.500 -0.084 0.000 2.062 753 R HA 0.139 4.481 4.340 0.003 0.000 0.229 753 R C 1.990 178.294 176.300 0.006 0.000 1.128 753 R CA 1.099 57.203 56.100 0.005 0.000 0.960 753 R CB -0.982 29.328 30.300 0.016 0.000 0.855 753 R HN 0.613 nan 8.270 nan 0.000 0.432 754 I N 0.677 121.198 120.570 -0.081 0.000 2.113 754 I HA -0.351 3.821 4.170 0.003 0.000 0.242 754 I C 2.195 178.309 176.117 -0.005 0.000 1.064 754 I CA 1.948 63.176 61.300 -0.120 0.000 1.320 754 I CB -0.262 37.531 38.000 -0.345 0.000 1.028 754 I HN 0.240 nan 8.210 nan 0.000 0.406 755 E N 1.246 121.477 120.200 0.053 0.000 2.265 755 E HA -0.242 4.110 4.350 0.003 0.000 0.196 755 E C 1.604 178.386 176.600 0.305 0.000 0.996 755 E CA 1.360 57.973 56.400 0.355 0.000 0.832 755 E CB -0.091 29.814 29.700 0.340 0.000 0.756 755 E HN 0.475 nan 8.360 nan 0.000 0.491 756 E N -0.089 120.217 120.200 0.176 0.000 2.445 756 E HA 0.180 4.532 4.350 0.003 0.000 0.189 756 E C -0.100 176.593 176.600 0.155 0.000 1.069 756 E CA -0.014 56.465 56.400 0.132 0.000 0.871 756 E CB 0.479 30.239 29.700 0.100 0.000 0.991 756 E HN 0.327 nan 8.360 nan 0.000 0.481 757 A N 1.029 123.984 122.820 0.225 0.000 2.252 757 A HA 0.727 5.048 4.320 0.003 0.000 0.305 757 A C 0.501 178.231 177.584 0.244 0.000 1.097 757 A CA -0.281 51.870 52.037 0.189 0.000 0.849 757 A CB 0.448 19.529 19.000 0.135 0.000 1.142 757 A HN 0.287 nan 8.150 nan 0.000 0.499 758 R N -0.629 119.964 120.500 0.156 0.000 2.549 758 R HA 0.682 5.023 4.340 0.003 0.000 0.267 758 R C 0.364 176.709 176.300 0.076 0.000 1.045 758 R CA 0.309 56.492 56.100 0.140 0.000 1.115 758 R CB -0.849 29.505 30.300 0.090 0.000 1.121 758 R HN 1.600 nan 8.270 nan 0.000 0.543 759 E N 0.000 120.237 120.200 0.061 0.000 2.725 759 E HA 0.000 4.352 4.350 0.003 0.000 0.291 759 E CA 0.000 56.375 56.400 -0.041 0.000 0.976 759 E CB 0.000 29.691 29.700 -0.016 0.000 0.812 759 E HN 0.000 nan 8.360 nan 0.000 0.440